ChemWiki - User contributions [en]

Visible light driven reduction of CO2 catalyzed by an abundant manganese catalyst with zinc porphyrin photosensitizer

2024-01-12T12:00:27Z

Helena:

{{#doiinfobox: 10.1016/j.apcata.2016.04.035}}
[[Category:Photocatalytic CO2 conversion to CO]]
[[Category:Photocatalytic CO2 conversion to HCOOH]]
{{BaseTemplate}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 was shown using the manganese catalyst {{#moleculelink:|link=ZUZWBGQHMPVNDY-UHFFFAOYSA-M|image=false|width=300|height=200}} and the zinc photosensitizer {{#moleculelink:|link=XPVVGUHKLPZAEN-DAJBKUBHSA-N|image=false|width=300|height=200}}. Turnover numbers (TONs) of 64 and 16 were reached after 180 min of irradiation for CO and formic acid, respectively. The experiments were performed using a Xenon lamp as the light source.

==== Advances and special progress ====
Photochemical CO2 conversion in an environmentally friendly and sustainable photocatalytic system using earth abundant metal complexes efficiently yielded CO and HCOOH in aqueous acetonitrile solution.

==== Additional remarks ====
The manganese catalyst and the zinc photosensitizer were used in different ratios, resulting in different TONs for CO and HCOOH production.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to CO and HCOOH using different ratios of the catalyst and photosensitizer. The catalytic system performed best (referring to the TONs of CO and HCOOH production) for the catalyst:photosensitizer ratio of 4:1.

==== Catalyst====
<chemform smiles="C1C=C2C3C=CC=CN=3[Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1" inchi="1S/C10H8N2.3CO.BrH.Mn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1" inchikey="ZUZWBGQHMPVNDY-UHFFFAOYSA-M" height="200px" width="300px" float="none">
-INDIGO-05172311492D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 20 22 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.25985 -3.0 0.0 0
M V30 2 C 6.99015 -2.99959 0.0 0
M V30 3 C 6.12664 -2.49997 0.0 0
M V30 4 N 6.99015 -4.00053 0.0 0
M V30 5 C 5.25985 -4.00502 0.0 0
M V30 6 C 6.12882 -4.50003 0.0 0
M V30 7 C 6.12882 -5.50003 0.0 0
M V30 8 C 6.9954 -6.99769 0.0 0
M V30 9 N 6.99566 -6.0 0.0 0
M V30 10 C 6.12889 -7.49875 0.0 0
M V30 11 C 5.25885 -6.00309 0.0 0
M V30 12 C 5.26531 -7.00314 0.0 0
M V30 13 Mn 7.8 -5.075 0.0 0 CHG=1
M V30 14 C 7.8 -6.075 0.0 0 CHG=-1
M V30 15 C 8.66603 -5.575 0.0 0 CHG=-1
M V30 16 C 8.50711 -4.36789 0.0 0 CHG=-1
M V30 17 Br 7.8 -4.075 0.0 0 CHG=-1
M V30 18 O 7.8 -7.075 0.0 0 CHG=1
M V30 19 O 9.53205 -6.075 0.0 0 CHG=1
M V30 20 O 9.21421 -3.66079 0.0 0 CHG=1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 6 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 10 4 13
M V30 15 10 9 13
M V30 16 10 13 14
M V30 17 10 13 15
M V30 18 10 13 16
M V30 19 10 13 17
M V30 20 3 14 18
M V30 21 3 15 19
M V30 22 3 16 20
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Photosensitizer ====
<chemform smiles="C1=C2/C(/C3C=CC=CC=3)=C3\N=C(/C(/C4C=CC=CC=4)=C4\[N-]/C(=C(/C5C=CC=CC=5)\C5=N/C(=C(/C6C=CC=CC=6)\C(=C1)[N-]2)/C=C5)/C=C\4)C=C\3.[Zn+2]" inchikey="XPVVGUHKLPZAEN-DAJBKUBHSA-N" inchi="1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;" float="none" width="200" height="200">
-INDIGO-11302313082D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 49 56 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.26444 -2.19264 0.0 0
M V30 2 N 4.95066 -3.60797 0.0 0 CHG=-1
M V30 3 C 5.13521 -2.6936 0.0 0
M V30 4 C 3.97264 -3.70955 0.0 0
M V30 5 C 3.534 -2.85356 0.0 0
M V30 6 C 8.00662 -2.02009 0.0 0
M V30 7 C 8.51658 -3.52705 0.0 0
M V30 8 C 8.82814 -2.59525 0.0 0
M V30 9 N 7.4976 -3.55292 0.0 0
M V30 10 C 7.19098 -2.61274 0.0 0
M V30 11 N 5.15903 -5.24596 0.0 0
M V30 12 C 4.67909 -6.74346 0.0 0
M V30 13 C 5.47557 -6.15555 0.0 0
M V30 14 C 3.86667 -6.18575 0.0 0
M V30 15 C 4.14196 -5.291 0.0 0
M V30 16 N 7.74715 -5.30724 0.0 0 CHG=-1
M V30 17 C 9.09989 -6.11388 0.0 0
M V30 18 C 8.67727 -5.20374 0.0 0
M V30 19 C 8.35684 -6.73786 0.0 0
M V30 20 C 7.47905 -6.1624 0.0 0
M V30 21 C 3.54011 -4.53811 0.0 0
M V30 22 C 6.51552 -6.63012 0.0 0
M V30 23 C 9.15199 -4.36492 0.0 0
M V30 24 C 6.13275 -2.19316 0.0 0
M V30 25 C 6.51552 -7.63012 0.0 0
M V30 26 C 7.38209 -9.12778 0.0 0
M V30 27 C 7.38235 -8.13015 0.0 0
M V30 28 C 6.51559 -9.62883 0.0 0
M V30 29 C 5.64555 -8.13318 0.0 0
M V30 30 C 5.65201 -9.13323 0.0 0
M V30 31 C 2.54011 -4.53811 0.0 0
M V30 32 C 1.04245 -5.40469 0.0 0
M V30 33 C 2.04009 -5.40495 0.0 0
M V30 34 C 0.541399 -4.53818 0.0 0
M V30 35 C 2.03706 -3.66814 0.0 0
M V30 36 C 1.037 -3.67461 0.0 0
M V30 37 C 10.152 -4.36492 0.0 0
M V30 38 C 11.6496 -3.49834 0.0 0
M V30 39 C 10.652 -3.49808 0.0 0
M V30 40 C 12.1507 -4.36485 0.0 0
M V30 41 C 10.655 -5.23489 0.0 0
M V30 42 C 11.6551 -5.22843 0.0 0
M V30 43 C 6.13275 -1.19316 0.0 0
M V30 44 C 5.26618 0.304505 0.0 0
M V30 45 C 5.26592 -0.693131 0.0 0
M V30 46 C 6.13268 0.805557 0.0 0
M V30 47 C 7.00272 -0.690101 0.0 0
M V30 48 C 6.99626 0.309953 0.0 0
M V30 49 Zn 6.4 -4.425 0.0 0 CHG=2
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 5
M V30 2 1 2 3
M V30 3 2 3 1
M V30 4 1 4 2
M V30 5 2 5 4
M V30 6 1 6 10
M V30 7 1 7 8
M V30 8 2 8 6
M V30 9 2 9 7
M V30 10 1 10 9
M V30 11 1 11 15
M V30 12 1 12 13
M V30 13 2 13 11
M V30 14 2 14 12
M V30 15 1 15 14
M V30 16 1 16 20
M V30 17 1 17 18
M V30 18 1 18 16
M V30 19 2 19 17
M V30 20 1 20 19
M V30 21 1 4 21
M V30 22 2 21 15
M V30 23 1 13 22
M V30 24 2 22 20
M V30 25 2 18 23
M V30 26 1 23 7
M V30 27 2 10 24
M V30 28 1 24 3
M V30 29 1 22 25
M V30 30 2 27 25
M V30 31 2 28 26
M V30 32 1 25 29
M V30 33 1 26 27
M V30 34 2 29 30
M V30 35 1 30 28
M V30 36 1 21 31
M V30 37 2 33 31
M V30 38 2 34 32
M V30 39 1 31 35
M V30 40 1 32 33
M V30 41 2 35 36
M V30 42 1 36 34
M V30 43 1 23 37
M V30 44 2 39 37
M V30 45 2 40 38
M V30 46 1 37 41
M V30 47 1 38 39
M V30 48 2 41 42
M V30 49 1 42 40
M V30 50 1 24 43
M V30 51 2 45 43
M V30 52 2 46 44
M V30 53 1 43 47
M V30 54 1 44 45
M V30 55 2 47 48
M V30 56 1 48 46
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Investigation====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

==== Sacrificial electron donor ====
In this study, triethylamine ({{#moleculelink:|link=ZMANZCXQSJIPKH-UHFFFAOYSA-N|image=false|width=300|height=200}}) was used as sacrificial electron donor.

==== Additives ====
In this study, no additives were used.

Visible light driven reduction of CO2 catalyzed by an abundant manganese catalyst with zinc porphyrin photosensitizer

2024-01-12T11:36:22Z

Helena:

{{#doiinfobox: 10.1016/j.apcata.2016.04.035}}
[[Category:Photocatalytic CO2 conversion to CO]]
[[Category:Photocatalytic CO2 conversion to HCOOH]]
{{BaseTemplate}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 was shown using the manganese catalyst {{#moleculelink:|link=ZUZWBGQHMPVNDY-UHFFFAOYSA-M|image=false|width=300|height=200}} and the zinc photosensitizer {{#moleculelink:|link=XPVVGUHKLPZAEN-DAJBKUBHSA-N|image=false|width=300|height=200}}. Turnover numbers (TONs) of 64 and 16 were reached after 180 min of irradiation for CO and formic acid, respectively. The experiments were performed using a Xenon lamp as the light source.

==== Advances and special progress ====
Photochemical CO2 conversion in an environmentally friendly and sustainable photocatalytic system using earth abundant metal complexes efficiently yielded CO and HCOOH in aqueous acetonitrile solution.

==== Additional remarks ====
The manganese catalyst and the zinc photosensitizer were used in different ratios, resulting in different TONs for CO and HCOOH production.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to CO and HCOOH using different ratios of the catalyst and photosensitizer. The catalytic system performed best for the catalyst:photosensitizer ratio of 4:1.

==== Catalyst====
<chemform smiles="C1C=C2C3C=CC=CN=3[Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1" inchi="1S/C10H8N2.3CO.BrH.Mn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1" inchikey="ZUZWBGQHMPVNDY-UHFFFAOYSA-M" height="200px" width="300px" float="none">
-INDIGO-05172311492D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 20 22 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.25985 -3.0 0.0 0
M V30 2 C 6.99015 -2.99959 0.0 0
M V30 3 C 6.12664 -2.49997 0.0 0
M V30 4 N 6.99015 -4.00053 0.0 0
M V30 5 C 5.25985 -4.00502 0.0 0
M V30 6 C 6.12882 -4.50003 0.0 0
M V30 7 C 6.12882 -5.50003 0.0 0
M V30 8 C 6.9954 -6.99769 0.0 0
M V30 9 N 6.99566 -6.0 0.0 0
M V30 10 C 6.12889 -7.49875 0.0 0
M V30 11 C 5.25885 -6.00309 0.0 0
M V30 12 C 5.26531 -7.00314 0.0 0
M V30 13 Mn 7.8 -5.075 0.0 0 CHG=1
M V30 14 C 7.8 -6.075 0.0 0 CHG=-1
M V30 15 C 8.66603 -5.575 0.0 0 CHG=-1
M V30 16 C 8.50711 -4.36789 0.0 0 CHG=-1
M V30 17 Br 7.8 -4.075 0.0 0 CHG=-1
M V30 18 O 7.8 -7.075 0.0 0 CHG=1
M V30 19 O 9.53205 -6.075 0.0 0 CHG=1
M V30 20 O 9.21421 -3.66079 0.0 0 CHG=1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 6 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 10 4 13
M V30 15 10 9 13
M V30 16 10 13 14
M V30 17 10 13 15
M V30 18 10 13 16
M V30 19 10 13 17
M V30 20 3 14 18
M V30 21 3 15 19
M V30 22 3 16 20
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Photosensitizer ====
<chemform smiles="C1=C2/C(/C3C=CC=CC=3)=C3\N=C(/C(/C4C=CC=CC=4)=C4\[N-]/C(=C(/C5C=CC=CC=5)\C5=N/C(=C(/C6C=CC=CC=6)\C(=C1)[N-]2)/C=C5)/C=C\4)C=C\3.[Zn+2]" inchikey="XPVVGUHKLPZAEN-DAJBKUBHSA-N" inchi="1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;" float="none" width="200" height="200">
-INDIGO-11302313082D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 49 56 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.26444 -2.19264 0.0 0
M V30 2 N 4.95066 -3.60797 0.0 0 CHG=-1
M V30 3 C 5.13521 -2.6936 0.0 0
M V30 4 C 3.97264 -3.70955 0.0 0
M V30 5 C 3.534 -2.85356 0.0 0
M V30 6 C 8.00662 -2.02009 0.0 0
M V30 7 C 8.51658 -3.52705 0.0 0
M V30 8 C 8.82814 -2.59525 0.0 0
M V30 9 N 7.4976 -3.55292 0.0 0
M V30 10 C 7.19098 -2.61274 0.0 0
M V30 11 N 5.15903 -5.24596 0.0 0
M V30 12 C 4.67909 -6.74346 0.0 0
M V30 13 C 5.47557 -6.15555 0.0 0
M V30 14 C 3.86667 -6.18575 0.0 0
M V30 15 C 4.14196 -5.291 0.0 0
M V30 16 N 7.74715 -5.30724 0.0 0 CHG=-1
M V30 17 C 9.09989 -6.11388 0.0 0
M V30 18 C 8.67727 -5.20374 0.0 0
M V30 19 C 8.35684 -6.73786 0.0 0
M V30 20 C 7.47905 -6.1624 0.0 0
M V30 21 C 3.54011 -4.53811 0.0 0
M V30 22 C 6.51552 -6.63012 0.0 0
M V30 23 C 9.15199 -4.36492 0.0 0
M V30 24 C 6.13275 -2.19316 0.0 0
M V30 25 C 6.51552 -7.63012 0.0 0
M V30 26 C 7.38209 -9.12778 0.0 0
M V30 27 C 7.38235 -8.13015 0.0 0
M V30 28 C 6.51559 -9.62883 0.0 0
M V30 29 C 5.64555 -8.13318 0.0 0
M V30 30 C 5.65201 -9.13323 0.0 0
M V30 31 C 2.54011 -4.53811 0.0 0
M V30 32 C 1.04245 -5.40469 0.0 0
M V30 33 C 2.04009 -5.40495 0.0 0
M V30 34 C 0.541399 -4.53818 0.0 0
M V30 35 C 2.03706 -3.66814 0.0 0
M V30 36 C 1.037 -3.67461 0.0 0
M V30 37 C 10.152 -4.36492 0.0 0
M V30 38 C 11.6496 -3.49834 0.0 0
M V30 39 C 10.652 -3.49808 0.0 0
M V30 40 C 12.1507 -4.36485 0.0 0
M V30 41 C 10.655 -5.23489 0.0 0
M V30 42 C 11.6551 -5.22843 0.0 0
M V30 43 C 6.13275 -1.19316 0.0 0
M V30 44 C 5.26618 0.304505 0.0 0
M V30 45 C 5.26592 -0.693131 0.0 0
M V30 46 C 6.13268 0.805557 0.0 0
M V30 47 C 7.00272 -0.690101 0.0 0
M V30 48 C 6.99626 0.309953 0.0 0
M V30 49 Zn 6.4 -4.425 0.0 0 CHG=2
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 5
M V30 2 1 2 3
M V30 3 2 3 1
M V30 4 1 4 2
M V30 5 2 5 4
M V30 6 1 6 10
M V30 7 1 7 8
M V30 8 2 8 6
M V30 9 2 9 7
M V30 10 1 10 9
M V30 11 1 11 15
M V30 12 1 12 13
M V30 13 2 13 11
M V30 14 2 14 12
M V30 15 1 15 14
M V30 16 1 16 20
M V30 17 1 17 18
M V30 18 1 18 16
M V30 19 2 19 17
M V30 20 1 20 19
M V30 21 1 4 21
M V30 22 2 21 15
M V30 23 1 13 22
M V30 24 2 22 20
M V30 25 2 18 23
M V30 26 1 23 7
M V30 27 2 10 24
M V30 28 1 24 3
M V30 29 1 22 25
M V30 30 2 27 25
M V30 31 2 28 26
M V30 32 1 25 29
M V30 33 1 26 27
M V30 34 2 29 30
M V30 35 1 30 28
M V30 36 1 21 31
M V30 37 2 33 31
M V30 38 2 34 32
M V30 39 1 31 35
M V30 40 1 32 33
M V30 41 2 35 36
M V30 42 1 36 34
M V30 43 1 23 37
M V30 44 2 39 37
M V30 45 2 40 38
M V30 46 1 37 41
M V30 47 1 38 39
M V30 48 2 41 42
M V30 49 1 42 40
M V30 50 1 24 43
M V30 51 2 45 43
M V30 52 2 46 44
M V30 53 1 43 47
M V30 54 1 44 45
M V30 55 2 47 48
M V30 56 1 48 46
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Investigation====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

==== Sacrificial electron donor ====
In this study, triethylamine ({{#moleculelink:|link=ZMANZCXQSJIPKH-UHFFFAOYSA-N|image=false|width=300|height=200}}) was used as sacrificial electron donor.

==== Additives ====
In this study, no additives were used.

Visible light driven reduction of CO2 catalyzed by an abundant manganese catalyst with zinc porphyrin photosensitizer

2024-01-12T11:33:11Z

Helena:

{{#doiinfobox: 10.1016/j.apcata.2016.04.035}}
[[Category:Photocatalytic CO2 conversion to CO]]
[[Category:Photocatalytic CO2 conversion to HCOOH]]
{{BaseTemplate}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 was shown using the manganese catalyst {{#moleculelink:|link=ZUZWBGQHMPVNDY-UHFFFAOYSA-M|image=false|width=300|height=200}} and the zinc photosensitizer {{#moleculelink:|link=XPVVGUHKLPZAEN-DAJBKUBHSA-N|image=false|width=300|height=200}}. Turnover numbers (TONs) of 64 and 16 were reached after 180 min of irradiation for CO and formic acid, respectively.

==== Advances and special progress ====
Photochemical CO2 conversion in an environmentally friendly and sustainable photocatalytic system using earth abundant metal complexes efficiently yielded CO and HCOOH in aqueous acetonitrile solution.

==== Additional remarks ====
The manganese catalyst and the zinc photosensitizer were used in different ratios, resulting in different TONs for CO and HCOOH production.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to CO and HCOOH using different rations of the catalyst and photosensitizer. The catalytic system performed best for the catalyst:photosensitizer ratio of 4:1.

==== Catalyst====
<chemform smiles="C1C=C2C3C=CC=CN=3[Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1" inchi="1S/C10H8N2.3CO.BrH.Mn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1" inchikey="ZUZWBGQHMPVNDY-UHFFFAOYSA-M" height="200px" width="300px" float="none">
-INDIGO-05172311492D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 20 22 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.25985 -3.0 0.0 0
M V30 2 C 6.99015 -2.99959 0.0 0
M V30 3 C 6.12664 -2.49997 0.0 0
M V30 4 N 6.99015 -4.00053 0.0 0
M V30 5 C 5.25985 -4.00502 0.0 0
M V30 6 C 6.12882 -4.50003 0.0 0
M V30 7 C 6.12882 -5.50003 0.0 0
M V30 8 C 6.9954 -6.99769 0.0 0
M V30 9 N 6.99566 -6.0 0.0 0
M V30 10 C 6.12889 -7.49875 0.0 0
M V30 11 C 5.25885 -6.00309 0.0 0
M V30 12 C 5.26531 -7.00314 0.0 0
M V30 13 Mn 7.8 -5.075 0.0 0 CHG=1
M V30 14 C 7.8 -6.075 0.0 0 CHG=-1
M V30 15 C 8.66603 -5.575 0.0 0 CHG=-1
M V30 16 C 8.50711 -4.36789 0.0 0 CHG=-1
M V30 17 Br 7.8 -4.075 0.0 0 CHG=-1
M V30 18 O 7.8 -7.075 0.0 0 CHG=1
M V30 19 O 9.53205 -6.075 0.0 0 CHG=1
M V30 20 O 9.21421 -3.66079 0.0 0 CHG=1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 6 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 10 4 13
M V30 15 10 9 13
M V30 16 10 13 14
M V30 17 10 13 15
M V30 18 10 13 16
M V30 19 10 13 17
M V30 20 3 14 18
M V30 21 3 15 19
M V30 22 3 16 20
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Photosensitizer ====
<chemform smiles="C1=C2/C(/C3C=CC=CC=3)=C3\N=C(/C(/C4C=CC=CC=4)=C4\[N-]/C(=C(/C5C=CC=CC=5)\C5=N/C(=C(/C6C=CC=CC=6)\C(=C1)[N-]2)/C=C5)/C=C\4)C=C\3.[Zn+2]" inchikey="XPVVGUHKLPZAEN-DAJBKUBHSA-N" inchi="1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;" float="none" width="200" height="200">
-INDIGO-11302313082D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 49 56 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.26444 -2.19264 0.0 0
M V30 2 N 4.95066 -3.60797 0.0 0 CHG=-1
M V30 3 C 5.13521 -2.6936 0.0 0
M V30 4 C 3.97264 -3.70955 0.0 0
M V30 5 C 3.534 -2.85356 0.0 0
M V30 6 C 8.00662 -2.02009 0.0 0
M V30 7 C 8.51658 -3.52705 0.0 0
M V30 8 C 8.82814 -2.59525 0.0 0
M V30 9 N 7.4976 -3.55292 0.0 0
M V30 10 C 7.19098 -2.61274 0.0 0
M V30 11 N 5.15903 -5.24596 0.0 0
M V30 12 C 4.67909 -6.74346 0.0 0
M V30 13 C 5.47557 -6.15555 0.0 0
M V30 14 C 3.86667 -6.18575 0.0 0
M V30 15 C 4.14196 -5.291 0.0 0
M V30 16 N 7.74715 -5.30724 0.0 0 CHG=-1
M V30 17 C 9.09989 -6.11388 0.0 0
M V30 18 C 8.67727 -5.20374 0.0 0
M V30 19 C 8.35684 -6.73786 0.0 0
M V30 20 C 7.47905 -6.1624 0.0 0
M V30 21 C 3.54011 -4.53811 0.0 0
M V30 22 C 6.51552 -6.63012 0.0 0
M V30 23 C 9.15199 -4.36492 0.0 0
M V30 24 C 6.13275 -2.19316 0.0 0
M V30 25 C 6.51552 -7.63012 0.0 0
M V30 26 C 7.38209 -9.12778 0.0 0
M V30 27 C 7.38235 -8.13015 0.0 0
M V30 28 C 6.51559 -9.62883 0.0 0
M V30 29 C 5.64555 -8.13318 0.0 0
M V30 30 C 5.65201 -9.13323 0.0 0
M V30 31 C 2.54011 -4.53811 0.0 0
M V30 32 C 1.04245 -5.40469 0.0 0
M V30 33 C 2.04009 -5.40495 0.0 0
M V30 34 C 0.541399 -4.53818 0.0 0
M V30 35 C 2.03706 -3.66814 0.0 0
M V30 36 C 1.037 -3.67461 0.0 0
M V30 37 C 10.152 -4.36492 0.0 0
M V30 38 C 11.6496 -3.49834 0.0 0
M V30 39 C 10.652 -3.49808 0.0 0
M V30 40 C 12.1507 -4.36485 0.0 0
M V30 41 C 10.655 -5.23489 0.0 0
M V30 42 C 11.6551 -5.22843 0.0 0
M V30 43 C 6.13275 -1.19316 0.0 0
M V30 44 C 5.26618 0.304505 0.0 0
M V30 45 C 5.26592 -0.693131 0.0 0
M V30 46 C 6.13268 0.805557 0.0 0
M V30 47 C 7.00272 -0.690101 0.0 0
M V30 48 C 6.99626 0.309953 0.0 0
M V30 49 Zn 6.4 -4.425 0.0 0 CHG=2
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 5
M V30 2 1 2 3
M V30 3 2 3 1
M V30 4 1 4 2
M V30 5 2 5 4
M V30 6 1 6 10
M V30 7 1 7 8
M V30 8 2 8 6
M V30 9 2 9 7
M V30 10 1 10 9
M V30 11 1 11 15
M V30 12 1 12 13
M V30 13 2 13 11
M V30 14 2 14 12
M V30 15 1 15 14
M V30 16 1 16 20
M V30 17 1 17 18
M V30 18 1 18 16
M V30 19 2 19 17
M V30 20 1 20 19
M V30 21 1 4 21
M V30 22 2 21 15
M V30 23 1 13 22
M V30 24 2 22 20
M V30 25 2 18 23
M V30 26 1 23 7
M V30 27 2 10 24
M V30 28 1 24 3
M V30 29 1 22 25
M V30 30 2 27 25
M V30 31 2 28 26
M V30 32 1 25 29
M V30 33 1 26 27
M V30 34 2 29 30
M V30 35 1 30 28
M V30 36 1 21 31
M V30 37 2 33 31
M V30 38 2 34 32
M V30 39 1 31 35
M V30 40 1 32 33
M V30 41 2 35 36
M V30 42 1 36 34
M V30 43 1 23 37
M V30 44 2 39 37
M V30 45 2 40 38
M V30 46 1 37 41
M V30 47 1 38 39
M V30 48 2 41 42
M V30 49 1 42 40
M V30 50 1 24 43
M V30 51 2 45 43
M V30 52 2 46 44
M V30 53 1 43 47
M V30 54 1 44 45
M V30 55 2 47 48
M V30 56 1 48 46
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Investigation====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

==== Sacrificial electron donor ====
In this study, triethylamine ({{#moleculelink:|link=ZMANZCXQSJIPKH-UHFFFAOYSA-N|image=false|width=300|height=200}}) was used as sacrificial electron donor.

==== Additives ====
In this study, no additives were used.

Visible-Light Photoredox Catalysis: Selective Reduction of Carbon Dioxide to Carbon Monoxide by a Nickel N-Heterocyclic Carbene–Isoquinoline Complex

2024-01-12T07:30:55Z

Helena:

{{BaseTemplate}}
{{#doiinfobox: 10.1021/ja4074003}}

=== Abstract ===

==== Summary ====

==== Advances and special progress ====

==== Additional remarks ====

=== Content of the published article in detail ===

==== Catalyst====
{{#moleculelink:|link=CFQFJQWFSHKEAB-UHFFFAOYSA-N|image=true}}

====Photosensitizer====
{{#moleculelink: |link=NSABRUJKERBGOU-UHFFFAOYSA-N|image=true}}

====Investigation====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

====Sacrificial electron donor====
{{#moleculelink: |link=ZMANZCXQSJIPKH-UHFFFAOYSA-N|image=true}}
[[Category:Photocatalytic CO2 conversion to CO]]
Please remove this!

Exploring the Full Potential of Photocatalytic Carbon Dioxide Reduction Using a Dinuclear Re2Cl2 Complex Assisted by Various Photosensitizers

2024-01-10T13:53:05Z

Helena:

{{BaseTemplate}}
[[Category:Photocatalytic CO2 conversion to CO]]
{{#doiinfobox: 10.1002/cptc.202100034}}{{FaultyMolecule}}

===Abstract===

==== Summary ====
A photochemical reduction of CO2 to CO was shown using the dirhenium complex {{#moleculelink:|link=SPPICNUXBVPFDY-UHFFFAOYSA-N|image=false|width=300|height=200}} in combination with the ruthenium and copper photosensitizers {{#moleculelink:|link=GJHHESUUYZNNGV-UHFFFAOYSA-N|image=false|width=300|height=200}} and {{#moleculelink:|link=RLYPDFWLVSLBDF-UHFFFAOYSA-N|image=false|width=300|height=200}}. Turnover numbers (TONs) of up to 270 were reached after 4 h of irradiation (λ > 400 nm) in DMF.

==== Advances and special progress ====
One of very few studies where a dinuclear catalytic system able to activate CO2 is used in combination with photosensitizers.

==== Additional remarks ====
The experiments were preformed using the rhenium complex (50 μM in DMF) as the catalyst in combination with different loadings of the sensitizers and sacrificial electron donors under 4 h of irradiation with λ > 400 nm.

===Content of the published article in detail===
The article contains results of a detailed study on the influence of additional photosensitizers on the catalytic performance of the dinuclear rhenium catalyst {{#moleculelink:|link=SPPICNUXBVPFDY-UHFFFAOYSA-N|image=false|width=300|height=200}} for the reduction of CO2 to CO. The catalytic system performs best (referring to the TON of CO production) for the combination of the above mentioned catalyst with the iridium complex {{#moleculelink:|link=GJHHESUUYZNNGV-UHFFFAOYSA-N|image=false|width=300|height=200}} as the photosensitizer in the presence of BIH/TEA as sacrificial electron donors.

==== Catalyst ====
{{#moleculelink:|link=SPPICNUXBVPFDY-UHFFFAOYSA-N|image=true}}

==== Photosensitizer ====
<chemform smiles="C(F)1C2C3C=CC=CN=3[Ir+3]3(N4C=CC=CC=4C4=[C-]3C=C(F)C=C4F)3(N4C=CC=CC=4C4=[C-]3C=C(F)C=C4F)[C-]=2C=C(F)C=1" inchi="1S/3C11H6F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1-4,6-7H;/q3*-1;+3" inchikey="GJHHESUUYZNNGV-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-11272314332D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 43 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.33485 -0.200074 0.0 0
M V30 2 C 8.06515 -0.199589 0.0 0
M V30 3 C 7.20164 0.300033 0.0 0
M V30 4 C 8.06515 -1.20053 0.0 0
M V30 5 C 6.33485 -1.20502 0.0 0
M V30 6 C 7.20382 -1.70003 0.0 0 CHG=-1
M V30 7 C 5.46882 -1.70502 0.0 0
M V30 8 C 4.6051 -3.20433 0.0 0
M V30 9 N 5.46921 -2.70573 0.0 0
M V30 10 C 3.73792 -2.70444 0.0 0
M V30 11 C 4.59818 -1.20313 0.0 0
M V30 12 C 3.73534 -1.70875 0.0 0
M V30 13 F 5.4689 0.30005 0.0 0
M V30 14 F 8.93141 0.300008 0.0 0
M V30 15 C 10.7482 -4.56624 0.0 0
M V30 16 C 9.88344 -6.06497 0.0 0
M V30 17 C 10.7479 -5.56696 0.0 0
M V30 18 C 9.0166 -5.5645 0.0 0
M V30 19 C 9.87787 -4.06377 0.0 0
M V30 20 C 9.01469 -4.56881 0.0 0 CHG=-1
M V30 21 C 9.87787 -3.06377 0.0 0
M V30 22 C 9.01129 -1.56611 0.0 0
M V30 23 N 9.01103 -2.56374 0.0 0
M V30 24 C 9.8778 -1.06505 0.0 0
M V30 25 C 10.7478 -2.56071 0.0 0
M V30 26 C 10.7414 -1.56066 0.0 0
M V30 27 F 11.6143 -4.06637 0.0 0
M V30 28 F 9.88298 -7.06497 0.0 0
M V30 29 C 4.66173 -6.18724 0.0 0
M V30 30 C 3.79616 -4.689 0.0 0
M V30 31 C 3.79523 -5.68664 0.0 0
M V30 32 C 4.663 -4.18853 0.0 0
M V30 33 C 5.53204 -5.68477 0.0 0
M V30 34 C 5.52625 -4.68471 0.0 0 CHG=-1
M V30 35 C 6.39806 -6.18477 0.0 0
M V30 36 C 8.12836 -6.18312 0.0 0
M V30 37 N 7.26452 -5.68408 0.0 0
M V30 38 C 8.12903 -7.18407 0.0 0
M V30 39 C 6.39874 -7.18971 0.0 0
M V30 40 C 7.26804 -7.68414 0.0 0
M V30 41 F 4.66158 -7.18724 0.0 0
M V30 42 F 2.93037 -4.1886 0.0 0
M V30 43 Ir 7.21023 -3.58073 0.0 0 CHG=3
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 5 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 1 1 13
M V30 15 1 2 14
M V30 16 2 17 15
M V30 17 2 18 16
M V30 18 1 15 19
M V30 19 1 16 17
M V30 20 2 19 20
M V30 21 1 20 18
M V30 22 1 19 21
M V30 23 2 23 21
M V30 24 2 24 22
M V30 25 1 21 25
M V30 26 1 22 23
M V30 27 2 25 26
M V30 28 1 26 24
M V30 29 1 15 27
M V30 30 1 16 28
M V30 31 2 31 29
M V30 32 2 32 30
M V30 33 1 29 33
M V30 34 1 30 31
M V30 35 2 33 34
M V30 36 1 34 32
M V30 37 1 33 35
M V30 38 2 37 35
M V30 39 2 38 36
M V30 40 1 35 39
M V30 41 1 36 37
M V30 42 2 39 40
M V30 43 1 40 38
M V30 44 1 29 41
M V30 45 1 30 42
M V30 46 10 9 43
M V30 47 10 6 43
M V30 48 10 43 34
M V30 49 10 43 37
M V30 50 10 43 20
M V30 51 10 43 23
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=C2C(C3C=CC=CC=3)=CC=N3[Cu+]4(P(C5C=CC=CC=5)(C5C=CC=CC=5)C5C6OC7C(P4(C4C=CC=CC=4)C4C=CC=CC=4)=CC=CC=7C(C)(C)C=6C=CC=5)N4=CC=C(C5C=CC=CC=5)C=1C4=C23.[P-](F)(F)(F)(F)(F)F" inchi="1S/C39H32OP2.C24H16N2.Cu.F6P/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;1-7(2,3,4,5)6/h3-28H,1-2H3;1-16H;;/q;;+1;-1" inchikey="RLYPDFWLVSLBDF-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-11272314442D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 76 88 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.75985 -5.47507 0.0 0
M V30 2 C 6.49015 -5.47459 0.0 0
M V30 3 C 5.62664 -4.97497 0.0 0
M V30 4 C 6.49015 -6.47553 0.0 0
M V30 5 C 4.75985 -6.48002 0.0 0
M V30 6 C 5.62882 -6.97503 0.0 0
M V30 7 C 5.6282 -3.9804 0.0 0
M V30 8 C 6.4927 -3.48202 0.0 0
M V30 9 N 7.3581 -4.97422 0.0 0
M V30 10 C 7.35297 -3.97724 0.0 0
M V30 11 N 7.35042 -6.97074 0.0 0
M V30 12 C 7.35263 -7.96665 0.0 0
M V30 13 C 5.63103 -7.97493 0.0 0
M V30 14 C 6.49673 -8.46554 0.0 0
M V30 15 C 4.76217 -3.4804 0.0 0
M V30 16 C 3.03187 -3.48205 0.0 0
M V30 17 C 3.89572 -3.98109 0.0 0
M V30 18 C 3.0312 -2.4811 0.0 0
M V30 19 C 4.7615 -2.47545 0.0 0
M V30 20 C 3.8922 -1.98102 0.0 0
M V30 21 C 4.765 -8.47493 0.0 0
M V30 22 C 3.90128 -9.97424 0.0 0
M V30 23 C 4.76539 -9.47564 0.0 0
M V30 24 C 3.0341 -9.47435 0.0 0
M V30 25 C 3.89436 -7.97304 0.0 0
M V30 26 C 3.03152 -8.47866 0.0 0
M V30 27 C 13.925 -6.05001 0.0 0
M V30 28 C 13.425 -5.18397 0.0 0
M V30 29 C 12.425 -5.18396 0.0 0
M V30 30 O 11.925 -6.04999 0.0 0
M V30 31 C 12.425 -6.91603 0.0 0
M V30 32 C 13.425 -6.91604 0.0 0
M V30 33 C 11.9271 -4.32028 0.0 0
M V30 34 C 12.427 -3.45393 0.0 0
M V30 35 C 13.9269 -4.31416 0.0 0
M V30 36 C 13.4219 -3.45174 0.0 0
M V30 37 C 13.9229 -7.77972 0.0 0
M V30 38 C 13.423 -8.64607 0.0 0
M V30 39 C 11.9231 -7.78584 0.0 0
M V30 40 C 12.4281 -8.64826 0.0 0
M V30 41 P 10.9271 -4.32009 0.0 0
M V30 42 P 10.9231 -7.78902 0.0 0
M V30 43 C 11.1859 -3.35416 0.0 0
M V30 44 C 10.7365 -1.68325 0.0 0
M V30 45 C 10.478 -2.64682 0.0 0
M V30 46 C 11.7032 -1.42354 0.0 0
M V30 47 C 12.1564 -3.09341 0.0 0
M V30 48 C 12.409 -2.12576 0.0 0
M V30 49 C 10.0611 -3.82009 0.0 0
M V30 50 C 8.33077 -3.82174 0.0 0
M V30 51 C 9.19462 -4.32078 0.0 0
M V30 52 C 8.3301 -2.82079 0.0 0
M V30 53 C 10.0604 -2.81514 0.0 0
M V30 54 C 9.1911 -2.32071 0.0 0
M V30 55 C 11.182 -8.75494 0.0 0
M V30 56 C 10.0571 -8.28902 0.0 0
M V30 57 C 12.4066 -9.9773 0.0 0
M V30 58 C 12.1487 -9.01358 0.0 0
M V30 59 C 11.6993 -10.6855 0.0 0
M V30 60 C 10.4718 -9.46602 0.0 0
M V30 61 C 10.7369 -10.4303 0.0 0
M V30 62 C 9.1934 -9.78832 0.0 0
M V30 63 C 10.0575 -9.28973 0.0 0
M V30 64 C 8.32622 -9.28843 0.0 0
M V30 65 C 9.18648 -7.78713 0.0 0
M V30 66 C 8.32364 -8.29275 0.0 0
M V30 67 C 14.6321 -5.3429 0.0 0
M V30 68 C 14.6321 -6.75712 0.0 0
M V30 69 Cu 8.52413 -5.87422 0.0 0 CHG=1
M V30 70 P 15.625 -2.175 0.0 0 CHG=-1
M V30 71 F 15.625 -1.175 0.0 0
M V30 72 F 14.759 -2.675 0.0 0
M V30 73 F 16.491 -2.675 0.0 0
M V30 74 F 16.491 -1.675 0.0 0
M V30 75 F 15.625 -3.175 0.0 0
M V30 76 F 14.759 -1.675 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 8 7
M V30 8 1 2 9
M V30 9 1 7 3
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 6 13
M V30 14 1 11 4
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 7 15
M V30 18 2 17 15
M V30 19 2 18 16
M V30 20 1 15 19
M V30 21 1 16 17
M V30 22 2 19 20
M V30 23 1 20 18
M V30 24 1 13 21
M V30 25 2 23 21
M V30 26 2 24 22
M V30 27 1 21 25
M V30 28 1 22 23
M V30 29 2 25 26
M V30 30 1 26 24
M V30 31 1 27 32
M V30 32 1 27 28
M V30 33 2 28 29
M V30 34 1 29 30
M V30 35 1 30 31
M V30 36 2 31 32
M V30 37 2 34 33
M V30 38 1 28 35
M V30 39 1 33 29
M V30 40 2 35 36
M V30 41 1 36 34
M V30 42 2 38 37
M V30 43 1 31 39
M V30 44 1 37 32
M V30 45 2 39 40
M V30 46 1 40 38
M V30 47 1 33 41
M V30 48 1 39 42
M V30 49 1 41 43
M V30 50 2 45 43
M V30 51 2 46 44
M V30 52 1 43 47
M V30 53 1 44 45
M V30 54 2 47 48
M V30 55 1 48 46
M V30 56 1 41 49
M V30 57 2 51 49
M V30 58 2 52 50
M V30 59 1 49 53
M V30 60 1 50 51
M V30 61 2 53 54
M V30 62 1 54 52
M V30 63 1 42 55
M V30 64 1 42 56
M V30 65 2 58 55
M V30 66 2 59 57
M V30 67 1 55 60
M V30 68 1 57 58
M V30 69 2 60 61
M V30 70 1 61 59
M V30 71 2 63 56
M V30 72 2 64 62
M V30 73 1 56 65
M V30 74 1 62 63
M V30 75 2 65 66
M V30 76 1 66 64
M V30 77 1 27 67
M V30 78 1 27 68
M V30 79 10 9 69
M V30 80 10 11 69
M V30 81 10 69 42
M V30 82 10 69 41
M V30 83 1 70 71
M V30 84 1 70 72
M V30 85 1 70 73
M V30 86 1 70 74
M V30 87 1 70 75
M V30 88 1 70 76
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Investigation ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

==== Sacrificial electron donor ====
In this study, TEA ({{#moleculelink:|link=ZMANZCXQSJIPKH-UHFFFAOYSA-N|image=false|width=300|height=200}}) and BIH ({{#moleculelink:|link=VDFIVJSRRJXMAU-UHFFFAOYSA-N|image=false|width=300|height=200}}) were used as sacrificial electron donors.

A Dinuclear Cobalt Cryptate as a Homogeneous Photocatalyst for Highly Selective and Efficient Visible-Light Driven CO2 Reduction to CO in CH3CN-H2O Solution

2024-01-10T13:22:32Z

Helena:

{{#doiinfobox: 10.1002/ange.201610607}}
[[Category:Photocatalytic CO2 conversion to CO]]
{{BaseTemplate}}{{MissingInvestigation}}

==== Catalyst ====
<chemform smiles="[Co+](O)123N4CC5=CC(CN6[Co+2]78N9CCN7(CC6)CCN8CC6C=CC=C(C=6)CN1CCN2(CCN3CC1C=C(C9)C=CC=1)CC4)=CC=C5.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O" inchi="1S/C36H54N8.3ClHO4.2Co.H2O/c1-4-31-22-32(5-1)26-38-11-17-44-19-13-40-28-34-7-2-6-33(23-34)27-39-12-18-43(16-10-37-25-31)20-14-41-29-35-8-3-9-36(24-35)30-42-15-21-44;3*2-1(3,4)5;;;/h1-9,22-24,37-42H,10-21,25-30H2;3*(H,2,3,4,5);;;1H2/q;;;;2*+2;/p-4" inchikey="PWANXUIOGIXQEQ-UHFFFAOYSA-J" height="200px" width="300px" float="none">
-INDIGO-07262317532D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 62 69 0 0 0
M V30 BEGIN ATOM
M V30 1 Co 5.825 -5.75 0.0 0 CHG=1
M V30 2 N 4.825 -5.75 0.0 0
M V30 3 C 4.325 -4.88397 0.0 0
M V30 4 C 5.03211 -4.17687 0.0 0
M V30 5 N 6.03211 -4.17687 0.0 0
M V30 6 C 4.325 -6.61603 0.0 0
M V30 7 C 4.825 -7.48205 0.0 0
M V30 8 N 6.125 -7.45705 0.0 0
M V30 9 C 3.95897 -6.25 0.0 0
M V30 10 C 4.975 -6.75 0.0 0
M V30 11 N 6.4 -6.725 0.0 0
M V30 12 C 6.78395 -3.51752 0.0 0
M V30 13 C 7.73088 -3.53896 0.0 0
M V30 14 C 8.5946 -2.03965 0.0 0
M V30 15 C 7.73049 -2.53825 0.0 0
M V30 16 C 9.46178 -2.53954 0.0 0
M V30 17 C 8.60152 -4.04085 0.0 0
M V30 18 C 9.46436 -3.53523 0.0 0
M V30 19 C 10.4644 -3.53523 0.0 0
M V30 20 N 11.3304 -4.03523 0.0 0
M V30 21 C 7.27264 -7.21336 0.0 0
M V30 22 C 8.27264 -7.21336 0.0 0
M V30 23 C 6.725 -8.39808 0.0 0
M V30 24 C 7.875 -8.42308 0.0 0
M V30 25 C 9.13637 -5.71405 0.0 0
M V30 26 C 8.27226 -6.21264 0.0 0
M V30 27 C 10.0035 -6.21394 0.0 0
M V30 28 C 9.14329 -7.71525 0.0 0
M V30 29 C 10.0061 -7.20962 0.0 0
M V30 30 C 9.6053 -8.42143 0.0 0
M V30 31 C 9.60597 -9.42237 0.0 0
M V30 32 C 7.87567 -9.42802 0.0 0
M V30 33 C 8.74498 -9.92245 0.0 0
M V30 34 C 11.0061 -7.20962 0.0 0
M V30 35 C 10.7053 -8.39643 0.0 0
M V30 36 N 11.4053 -7.60541 0.0 0
M V30 37 N 11.9632 -6.57752 0.0 0
M V30 38 C 8.74145 -7.92239 0.0 0
M V30 39 O 6.825 -5.75 0.0 0
M V30 40 C 12.3304 -4.03523 0.0 0
M V30 41 C 13.0375 -4.74233 0.0 0
M V30 42 N 12.5375 -5.60836 0.0 0
M V30 43 C 13.2375 -6.47438 0.0 0
M V30 44 C 12.8537 -7.51531 0.0 0
M V30 45 C 12.7132 -6.57752 0.0 0
M V30 46 C 13.4203 -5.84541 0.0 0
M V30 47 Co 11.5375 -5.60836 0.0 0 CHG=2
M V30 48 Cl 15.242 -2.4 0.0 0
M V30 49 O 16.108 -1.9 0.0 0
M V30 50 O 14.376 -1.9 0.0 0
M V30 51 O 15.242 -3.4 0.0 0
M V30 52 O 16.108 -2.9 0.0 0 CHG=-1
M V30 53 Cl 16.05 -5.25 0.0 0
M V30 54 O 16.916 -4.75 0.0 0
M V30 55 O 15.184 -4.75 0.0 0
M V30 56 O 16.05 -6.25 0.0 0
M V30 57 O 16.916 -5.75 0.0 0 CHG=-1
M V30 58 Cl 15.525 -7.875 0.0 0
M V30 59 O 16.391 -7.375 0.0 0
M V30 60 O 14.659 -7.375 0.0 0
M V30 61 O 15.525 -8.875 0.0 0
M V30 62 O 16.391 -8.375 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 10 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 1 4 5
M V30 5 1 2 6
M V30 6 1 6 7
M V30 7 1 7 8
M V30 8 1 2 9
M V30 9 1 9 10
M V30 10 1 10 11
M V30 11 10 5 1
M V30 12 10 1 11
M V30 13 10 1 8
M V30 14 1 5 12
M V30 15 1 12 13
M V30 16 2 15 13
M V30 17 2 16 14
M V30 18 1 13 17
M V30 19 1 14 15
M V30 20 2 17 18
M V30 21 1 18 16
M V30 22 1 18 19
M V30 23 1 19 20
M V30 24 1 11 21
M V30 25 1 21 22
M V30 26 1 8 23
M V30 27 1 23 24
M V30 28 2 26 22
M V30 29 2 27 25
M V30 30 1 22 28
M V30 31 1 25 26
M V30 32 2 28 29
M V30 33 1 29 27
M V30 34 2 31 30
M V30 35 1 24 32
M V30 36 2 32 33
M V30 37 1 33 31
M V30 38 1 29 34
M V30 39 1 30 35
M V30 40 1 35 36
M V30 41 1 34 37
M V30 42 1 30 38
M V30 43 2 38 24
M V30 44 1 1 39
M V30 45 1 20 40
M V30 46 1 40 41
M V30 47 1 41 42
M V30 48 1 42 43
M V30 49 1 43 44
M V30 50 1 36 44
M V30 51 1 37 45
M V30 52 1 45 46
M V30 53 1 46 42
M V30 54 10 42 47
M V30 55 10 20 47
M V30 56 10 47 37
M V30 57 10 47 36
M V30 58 2 48 49
M V30 59 2 48 50
M V30 60 2 48 51
M V30 61 1 48 52
M V30 62 2 53 54
M V30 63 2 53 55
M V30 64 2 53 56
M V30 65 1 53 57
M V30 66 2 58 59
M V30 67 2 58 60
M V30 68 2 58 61
M V30 69 1 58 62
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Photosensitizer ====
<chemform smiles="C1=CC=N2[Ru+2]3(N4=CC=CC5C=CC6=C(C=54)N3=CC=C6)3(N4=CC=CC5C=CC6=C(C=54)N3=CC=C6)N3=CC=CC4C=CC1=C2C=43.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F" inchi="1S/3C12H8N2.2F6P.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2" inchikey="YRYUXGTVQZIGNQ-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-07262318002D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 57 66 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.68485 -4.10007 0.0 0
M V30 2 C 6.41515 -4.09959 0.0 0
M V30 3 C 5.55164 -3.59997 0.0 0
M V30 4 N 6.41515 -5.10053 0.0 0
M V30 5 C 4.68485 -5.10502 0.0 0
M V30 6 C 5.55382 -5.60003 0.0 0
M V30 7 C 5.5532 -2.6054 0.0 0
M V30 8 C 6.4177 -2.10702 0.0 0
M V30 9 C 7.2831 -3.59922 0.0 0
M V30 10 C 7.27797 -2.60224 0.0 0
M V30 11 C 8.13649 -2.1014 0.0 0
M V30 12 C 9.00281 -2.59531 0.0 0
M V30 13 N 8.15289 -4.09511 0.0 0
M V30 14 C 9.01012 -3.58727 0.0 0
M V30 15 C 11.8953 -4.00653 0.0 0
M V30 16 C 11.0287 -5.50858 0.0 0
M V30 17 C 11.895 -5.00946 0.0 0
M V30 18 N 10.1599 -5.007 0.0 0
M V30 19 C 11.0231 -3.50294 0.0 0
M V30 20 C 10.158 -4.00911 0.0 0
M V30 21 C 12.7575 -5.50921 0.0 0
M V30 22 C 12.7568 -6.50928 0.0 0
M V30 23 C 11.028 -6.51265 0.0 0
M V30 24 C 11.8959 -7.0078 0.0 0
M V30 25 C 11.9004 -8.00392 0.0 0
M V30 26 C 11.0376 -8.50834 0.0 0
M V30 27 N 10.1618 -7.01909 0.0 0
M V30 28 C 10.173 -8.01759 0.0 0
M V30 29 C 8.20163 -10.1467 0.0 0
M V30 30 C 7.33414 -8.64517 0.0 0
M V30 31 C 7.33321 -9.64502 0.0 0
M V30 32 N 8.20291 -8.14359 0.0 0
M V30 33 C 9.07387 -9.64315 0.0 0
M V30 34 C 9.06806 -8.64087 0.0 0
M V30 35 C 6.4692 -10.142 0.0 0
M V30 36 C 5.60343 -9.64145 0.0 0
M V30 37 C 6.46491 -8.14258 0.0 0
M V30 38 C 5.60216 -8.64663 0.0 0
M V30 39 C 4.73725 -8.15245 0.0 0
M V30 40 C 4.73181 -7.15303 0.0 0
M V30 41 N 6.45946 -7.13916 0.0 0
M V30 42 C 5.58912 -6.64962 0.0 0
M V30 43 Ru 8.15618 -6.05053 0.0 0 CHG=2
M V30 44 P 15.092 -3.15 0.0 0 CHG=-1
M V30 45 F 15.958 -2.65 0.0 0
M V30 46 F 14.226 -2.65 0.0 0
M V30 47 F 15.092 -4.15 0.0 0
M V30 48 F 15.958 -3.65 0.0 0
M V30 49 F 15.092 -2.15 0.0 0
M V30 50 F 14.226 -3.65 0.0 0
M V30 51 P 15.65 -6.15 0.0 0 CHG=-1
M V30 52 F 16.516 -5.65 0.0 0
M V30 53 F 14.784 -5.65 0.0 0
M V30 54 F 15.65 -7.15 0.0 0
M V30 55 F 16.516 -6.65 0.0 0
M V30 56 F 15.65 -5.15 0.0 0
M V30 57 F 14.784 -6.65 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 3 1
M V30 2 1 4 2
M V30 3 2 1 5
M V30 4 2 2 3
M V30 5 1 5 6
M V30 6 2 6 4
M V30 7 2 8 7
M V30 8 1 2 9
M V30 9 1 7 3
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 9 13
M V30 14 1 11 10
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 17 15
M V30 18 1 18 16
M V30 19 2 15 19
M V30 20 2 16 17
M V30 21 1 19 20
M V30 22 2 20 18
M V30 23 2 22 21
M V30 24 1 16 23
M V30 25 1 21 17
M V30 26 2 23 24
M V30 27 1 24 22
M V30 28 2 26 25
M V30 29 1 23 27
M V30 30 1 25 24
M V30 31 2 27 28
M V30 32 1 28 26
M V30 33 1 31 29
M V30 34 1 32 30
M V30 35 2 29 33
M V30 36 2 30 31
M V30 37 1 33 34
M V30 38 2 34 32
M V30 39 2 36 35
M V30 40 1 30 37
M V30 41 1 35 31
M V30 42 2 37 38
M V30 43 1 38 36
M V30 44 2 40 39
M V30 45 1 37 41
M V30 46 1 39 38
M V30 47 2 41 42
M V30 48 1 42 40
M V30 49 10 4 43
M V30 50 10 43 13
M V30 51 10 43 18
M V30 52 10 43 27
M V30 53 10 43 32
M V30 54 10 43 41
M V30 55 1 44 45
M V30 56 1 44 46
M V30 57 1 44 47
M V30 58 1 44 48
M V30 59 1 44 49
M V30 60 1 44 50
M V30 61 1 51 52
M V30 62 1 51 53
M V30 63 1 51 54
M V30 64 1 51 55
M V30 65 1 51 56
M V30 66 1 51 57
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Investigation ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 2}}

==== Sacrificial electron donor ====
<chemform smiles="C(CO)N(CCO)CCO" inchi="1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" inchikey="GSEJCLTVZPLZKY-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-07282314352D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 10 9 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.06699 -5.65 0.0 0
M V30 2 N 6.93301 -5.15 0.0 0
M V30 3 C 7.79904 -5.65 0.0 0
M V30 4 C 6.93301 -4.15 0.0 0
M V30 5 C 7.79904 -3.65 0.0 0
M V30 6 O 7.79904 -2.65 0.0 0
M V30 7 C 7.79904 -6.65 0.0 0
M V30 8 O 8.66506 -7.15 0.0 0
M V30 9 C 5.20096 -5.15 0.0 0
M V30 10 O 4.33494 -5.65 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 4 5
M V30 5 1 5 6
M V30 6 1 3 7
M V30 7 1 7 8
M V30 8 1 1 9
M V30 9 1 9 10
M V30 END BOND
M V30 END CTAB
M END
</chemform>

Toward Visible-Light Photochemical CO2‑to-CH4 Conversion in Aqueous Solutions Using Sensitized Molecular Catalysis

2024-01-10T12:35:56Z

Helena:

{{BaseTemplate}}
{{#doiinfobox: 10.1021/acs.jpcc.8b00950}}{{MissingSIData}}

=== Abstract ===

==== Summary====
A photochemical reduction of CO2 was achieved using an iron porphyrin catalyst and an iridium complex as the photosensitizer. Carbon monoxide, produced with a TON of 178 under optimized conditions, was the main product, methane was produced in a substantial amount with the TON of 32, while hydrogen was formed as a minor byproduct. The experiments were performed under irradiation with ''λ >'' 420 nm in acetonitrile and in the presence of various amines as sacrificial electron donors.

==== Advances and special progress====
The catalytic reduction of CO2 could also be realized under aqueous conditions (acetonitrile/water 3:7 v:v), yielding carbon monoxide as the main product while methane was produced with selectivity up to 10% (3 TON).

==== Additional remarks====
Among the various amines employed as sacrificial electron donors, TEA appeared as the best choice to maximize CO2 product formation.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to CO as the main product under visible-light irradiation using iron porphyrin complex Fe(pTMAPP)Cl5 ({{#moleculelink:|link=LKNRTBVZMCBYCY-NGWNFTKISA-I|image=false|width=300|height=200}}) as the catalysts, an iridium complex as the photosensitizer and various amines as the sacrificial electron donor. The catalytic system performs best (referring to the TON of CO production) with Ir(ppy)3 ({{#moleculelink:|link=QKBWDYLFYVXTGE-UHFFFAOYSA-N|image=false|width=300|height=200}}) as the photosensitizer and TEA as the sacrificial electron donor.

==== Catalyst====
{{#moleculelink:|link=LKNRTBVZMCBYCY-NGWNFTKISA-I|image=true|width=300|height=200}}

====Photosensitizer====
<chemform smiles="C1C=C[C-]2[Ir+3]3([C-]4C=CC=CC=4C4C=CC=CN=43)3(N4=CC=CC=C4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.[P-](F)(F)(F)(F)(F)F" inchi="1S/2C11H8N.C10H8N2.F6P.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2*1-6,8-9H;1-8H;;/q2*-1;;-1;+3" inchikey="RJJGJTKSOSSNNL-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-08012317332D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.03485 -3.90007 0.0 0
M V30 2 C 5.76515 -3.89959 0.0 0
M V30 3 C 4.90164 -3.39997 0.0 0
M V30 4 C 5.76515 -4.90053 0.0 0 CHG=-1
M V30 5 C 4.03485 -4.90502 0.0 0
M V30 6 C 4.90382 -5.40003 0.0 0
M V30 7 C 6.63141 -3.39999 0.0 0
M V30 8 C 7.49583 -1.90109 0.0 0
M V30 9 C 6.63149 -2.39928 0.0 0
M V30 10 C 8.36278 -2.40138 0.0 0
M V30 11 N 7.50182 -3.90229 0.0 0
M V30 12 C 8.3649 -3.39706 0.0 0
M V30 13 C 4.08485 -6.82507 0.0 0
M V30 14 C 5.81515 -6.82459 0.0 0 CHG=-1
M V30 15 C 4.95164 -6.32497 0.0 0
M V30 16 C 5.81515 -7.82553 0.0 0
M V30 17 C 4.08485 -7.83002 0.0 0
M V30 18 C 4.95382 -8.32503 0.0 0
M V30 19 C 6.68166 -8.3247 0.0 0
M V30 20 C 8.41196 -8.32139 0.0 0
M V30 21 N 7.54763 -7.82318 0.0 0
M V30 22 C 8.41359 -9.32233 0.0 0
M V30 23 C 6.6833 -9.32964 0.0 0
M V30 24 C 7.55308 -9.82324 0.0 0
M V30 25 C 9.35985 -3.77507 0.0 0
M V30 26 C 11.0902 -3.77459 0.0 0
M V30 27 C 10.2266 -3.27497 0.0 0
M V30 28 C 11.0902 -4.77553 0.0 0
M V30 29 N 9.35985 -4.78002 0.0 0
M V30 30 C 10.2288 -5.27503 0.0 0
M V30 31 C 10.2327 -6.27503 0.0 0
M V30 32 C 11.105 -7.76933 0.0 0
M V30 33 C 11.1014 -6.7717 0.0 0
M V30 34 C 10.2405 -8.27372 0.0 0
M V30 35 N 9.36465 -6.78143 0.0 0
M V30 36 C 9.37498 -7.78146 0.0 0
M V30 37 Ir 7.55 -5.775 0.0 0 CHG=3
M V30 38 P 13.517 -3.7 0.0 0 CHG=-1
M V30 39 F 14.383 -3.2 0.0 0
M V30 40 F 12.651 -3.2 0.0 0
M V30 41 F 13.517 -4.7 0.0 0
M V30 42 F 14.383 -4.2 0.0 0
M V30 43 F 13.517 -2.7 0.0 0
M V30 44 F 12.651 -4.2 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 2 27 25
M V30 28 2 28 26
M V30 29 1 25 29
M V30 30 1 26 27
M V30 31 2 29 30
M V30 32 1 30 28
M V30 33 1 30 31
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 10 11 37
M V30 41 10 37 29
M V30 42 10 35 37
M V30 43 10 37 21
M V30 44 10 14 37
M V30 45 10 37 4
M V30 46 1 38 39
M V30 47 1 38 40
M V30 48 1 38 41
M V30 49 1 38 42
M V30 50 1 38 43
M V30 51 1 38 44
M V30 END BOND
M V30 END CTAB
M END
</chemform>
{{#moleculelink: |link=QKBWDYLFYVXTGE-UHFFFAOYSA-N|image=true}}

====Investigation====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

{{#experimentlist:|form=Cyclic_Voltammetry_experiments|name=Table 2 - CV}}

====Sacrificial electron donor====
In this study, the experiments were conducted with TEA ({{#moleculelink:|link=ZMANZCXQSJIPKH-UHFFFAOYSA-N|image=false|width=300|height=200}}), TEOA ({{#moleculelink:|link=GSEJCLTVZPLZKY-UHFFFAOYSA-N|image=false|width=300|height=200}}), and DIPEA ({{#moleculelink:|link=JGFZNNIVVJXRND-UHFFFAOYSA-N|image=false|width=300|height=200}}) as sacrificial electron donors.

====Additives====
In some experiments described in this study, TFE ({{#moleculelink:|link=RHQDFWAXVIIEBN-UHFFFAOYSA-N|image=false|width=300|height=200}}) was used as an additive.
[[Category:Photocatalytic CO2 conversion to CH4]]

Toward Visible-Light Photochemical CO2‑to-CH4 Conversion in Aqueous Solutions Using Sensitized Molecular Catalysis

2024-01-10T12:10:12Z

Helena:

{{BaseTemplate}}
{{#doiinfobox: 10.1021/acs.jpcc.8b00950}}{{MissingSIData}}

=== Abstract ===

==== Summary====
==== Advances and special progress====
==== Additional remarks====

=== Content of the published article in detail ===

==== Catalyst====
{{#moleculelink:|link=LKNRTBVZMCBYCY-NGWNFTKISA-I|image=true|width=300|height=200}}

====Photosensitizer====
<chemform smiles="C1C=C[C-]2[Ir+3]3([C-]4C=CC=CC=4C4C=CC=CN=43)3(N4=CC=CC=C4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.[P-](F)(F)(F)(F)(F)F" inchi="1S/2C11H8N.C10H8N2.F6P.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2*1-6,8-9H;1-8H;;/q2*-1;;-1;+3" inchikey="RJJGJTKSOSSNNL-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-08012317332D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.03485 -3.90007 0.0 0
M V30 2 C 5.76515 -3.89959 0.0 0
M V30 3 C 4.90164 -3.39997 0.0 0
M V30 4 C 5.76515 -4.90053 0.0 0 CHG=-1
M V30 5 C 4.03485 -4.90502 0.0 0
M V30 6 C 4.90382 -5.40003 0.0 0
M V30 7 C 6.63141 -3.39999 0.0 0
M V30 8 C 7.49583 -1.90109 0.0 0
M V30 9 C 6.63149 -2.39928 0.0 0
M V30 10 C 8.36278 -2.40138 0.0 0
M V30 11 N 7.50182 -3.90229 0.0 0
M V30 12 C 8.3649 -3.39706 0.0 0
M V30 13 C 4.08485 -6.82507 0.0 0
M V30 14 C 5.81515 -6.82459 0.0 0 CHG=-1
M V30 15 C 4.95164 -6.32497 0.0 0
M V30 16 C 5.81515 -7.82553 0.0 0
M V30 17 C 4.08485 -7.83002 0.0 0
M V30 18 C 4.95382 -8.32503 0.0 0
M V30 19 C 6.68166 -8.3247 0.0 0
M V30 20 C 8.41196 -8.32139 0.0 0
M V30 21 N 7.54763 -7.82318 0.0 0
M V30 22 C 8.41359 -9.32233 0.0 0
M V30 23 C 6.6833 -9.32964 0.0 0
M V30 24 C 7.55308 -9.82324 0.0 0
M V30 25 C 9.35985 -3.77507 0.0 0
M V30 26 C 11.0902 -3.77459 0.0 0
M V30 27 C 10.2266 -3.27497 0.0 0
M V30 28 C 11.0902 -4.77553 0.0 0
M V30 29 N 9.35985 -4.78002 0.0 0
M V30 30 C 10.2288 -5.27503 0.0 0
M V30 31 C 10.2327 -6.27503 0.0 0
M V30 32 C 11.105 -7.76933 0.0 0
M V30 33 C 11.1014 -6.7717 0.0 0
M V30 34 C 10.2405 -8.27372 0.0 0
M V30 35 N 9.36465 -6.78143 0.0 0
M V30 36 C 9.37498 -7.78146 0.0 0
M V30 37 Ir 7.55 -5.775 0.0 0 CHG=3
M V30 38 P 13.517 -3.7 0.0 0 CHG=-1
M V30 39 F 14.383 -3.2 0.0 0
M V30 40 F 12.651 -3.2 0.0 0
M V30 41 F 13.517 -4.7 0.0 0
M V30 42 F 14.383 -4.2 0.0 0
M V30 43 F 13.517 -2.7 0.0 0
M V30 44 F 12.651 -4.2 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 2 27 25
M V30 28 2 28 26
M V30 29 1 25 29
M V30 30 1 26 27
M V30 31 2 29 30
M V30 32 1 30 28
M V30 33 1 30 31
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 10 11 37
M V30 41 10 37 29
M V30 42 10 35 37
M V30 43 10 37 21
M V30 44 10 14 37
M V30 45 10 37 4
M V30 46 1 38 39
M V30 47 1 38 40
M V30 48 1 38 41
M V30 49 1 38 42
M V30 50 1 38 43
M V30 51 1 38 44
M V30 END BOND
M V30 END CTAB
M END
</chemform>
{{#moleculelink: |link=QKBWDYLFYVXTGE-UHFFFAOYSA-N|image=true}}

====Investigation====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

{{#experimentlist:|form=Cyclic_Voltammetry_experiments|name=Table 2 - CV}}

====Sacrificial electron donor====
{{#moleculelink:|link=GSEJCLTVZPLZKY-UHFFFAOYSA-N|image=true}}{{#moleculelink: |link=ZMANZCXQSJIPKH-UHFFFAOYSA-N|image=true}}{{#moleculelink:|link=JGFZNNIVVJXRND-UHFFFAOYSA-N|image=true}}

====Additives====
{{#moleculelink:|link=RHQDFWAXVIIEBN-UHFFFAOYSA-N|image=true}}
[[Category:Photocatalytic CO2 conversion to CH4]]
Please remove this!

Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light

2024-01-10T12:05:10Z

Helena:

{{BaseTemplate}}
[[Category:Photocatalytic CO2 conversion to HCOOH]]
{{#doiinfobox: 10.1002/cctc.201500494 }}{{FaultyMolecule}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to formic acid was shown using a system containing an iridium-based photosensitizer, ruthenium photocatalyst and triethanolamine as the electron donor. Turnover numbers up to 526 and a selectivity of 80% towards formic acid were observed if the reaction was performed with [Ir(ppy)2(bpy)]PF6 ({{#moleculelink:|link=RJJGJTKSOSSNNL-UHFFFAOYSA-N|image=false|width=300|height=200}}) as the photosensitizer and [Ru(bpy)2(Cl)(CO)]PF6 ({{#moleculelink: |link=WUXWMOMXGWJDBM-UHFFFAOYSA-M|image=false|width=300|height=200}}) as the catalyst. The experiments were conducted under irradiation with Hg-lamp equipped with a ''λ''=400–700 nm filter.

==== Advances and special progress ====
The employed photocatalytic system showed activity for the photoreduction of Na2CO3 to formic acid as well. A TON of 53 was observed after 5h reaction time.

==== Additional remarks ====
Experiments using different electron and proton donors such as triethylamine (TEA) and 1-benzyl-1,4-dihydronicotinamide (BNAH) were unsuccessful as the observed activities were lower than those obtained in the presence of TEOA.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to formic under visible-light catalysis using ruthenium complexes as catalysts, the iridium complex [Ir(ppy)2(bpy)]PF6 ({{#moleculelink:|link=RJJGJTKSOSSNNL-UHFFFAOYSA-N|image=false|width=300|height=200}}) as a photosensitizer and triethanolamine as the electron donor. The catalytic system performs best (referring to the TON of HCOOH production) with [Ru(bpy)2(Cl)(CO)]PF6 ({{#moleculelink: |link=WUXWMOMXGWJDBM-UHFFFAOYSA-M|image=false|width=300|height=200}}) as photocatalyst.

==== Catalysts ====
<chemform smiles="C1C=CN2~[Ru+2](~[Cl-])(~[Cl-])3(~N4C=CC=CC=4C4N~3=CC=CC=4)~N3C=CC=CC=3C=2C=1" inchikey="MGAJEYXQYJBLQL-UHFFFAOYSA-L" inchi="1S/2C10H8N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*1-8H;2*1H;/q;;;;+2/p-2" float="none" width="200" height="200" r1="Cl,Cl,H" r2="Cl,CO,CO">
-INDIGO-01092415422D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 27 32 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.42164 -3.4051 0.0 0
M V30 2 C 6.16573 -3.41315 0.0 0
M V30 3 C 5.23126 -2.93902 0.0 0
M V30 4 N 6.24607 -4.34967 0.0 0
M V30 5 C 4.43988 -4.2752 0.0 0
M V30 6 C 5.33647 -4.80741 0.0 0
M V30 7 C 7.1536 -2.01998 0.0 0
M V30 8 C 8.69562 -2.15033 0.0 0
M V30 9 C 7.97052 -1.65293 0.0 0
M V30 10 C 8.6606 -3.11885 0.0 0
M V30 11 C 7.04069 -2.96795 0.0 0
M V30 12 N 7.81868 -3.57293 0.0 0
M V30 13 C 5.6923 -5.52361 0.0 0
M V30 14 C 6.93663 -6.52444 0.0 0
M V30 15 N 6.60503 -5.6549 0.0 0
M V30 16 C 6.34029 -7.29343 0.0 0
M V30 17 C 5.12026 -6.37657 0.0 0
M V30 18 C 5.48652 -7.18714 0.0 0
M V30 19 C 7.64521 -6.74796 0.0 0
M V30 20 C 9.23795 -6.29939 0.0 0
M V30 21 N 8.25086 -6.00768 0.0 0
M V30 22 C 9.43514 -7.33957 0.0 0
M V30 23 C 7.96229 -7.64558 0.0 0
M V30 24 C 8.77162 -7.93243 0.0 0
M V30 25 Cl 8.45093 -4.23617 0.0 0 CHG=-1
M V30 26 Cl 8.54195 -5.09895 0.0 0 CHG=-1
M V30 27 Ru 7.51723 -4.8062 0.0 0 CHG=2
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 2 21 19
M V30 20 2 22 20
M V30 21 1 19 23
M V30 22 1 20 21
M V30 23 2 23 24
M V30 24 1 24 22
M V30 25 1 2 11
M V30 26 1 14 19
M V30 27 8 4 27
M V30 28 8 12 27
M V30 29 8 15 27
M V30 30 8 21 27
M V30 31 8 27 26
M V30 32 8 27 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru]3(OC(=O)O3)3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1" inchi="1S/2C10H8N2.CH2O3.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3)4;/h2*1-8H;(H2,2,3,4);/q;;;+2/p-2" inchikey="BEIFWAYVOBNDMH-UHFFFAOYSA-L" height="200px" width="300px" float="none">
-INDIGO-07282310362D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 29 35 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.20985 -3.82507 0.0 0
M V30 2 C 5.94015 -3.82459 0.0 0
M V30 3 C 5.07664 -3.32497 0.0 0
M V30 4 N 5.94015 -4.82553 0.0 0
M V30 5 C 4.20985 -4.83002 0.0 0
M V30 6 C 5.07882 -5.32503 0.0 0
M V30 7 C 6.80641 -3.32499 0.0 0
M V30 8 C 7.67083 -1.82609 0.0 0
M V30 9 C 6.80649 -2.32428 0.0 0
M V30 10 C 8.53778 -2.32638 0.0 0
M V30 11 N 7.67682 -3.82729 0.0 0
M V30 12 C 8.5399 -3.32207 0.0 0
M V30 13 C 4.23485 -6.80007 0.0 0
M V30 14 N 5.96515 -6.79959 0.0 0
M V30 15 C 5.10164 -6.29997 0.0 0
M V30 16 C 5.96515 -7.80053 0.0 0
M V30 17 C 4.23485 -7.80502 0.0 0
M V30 18 C 5.10382 -8.30003 0.0 0
M V30 19 C 6.83166 -8.2997 0.0 0
M V30 20 C 8.56196 -8.29639 0.0 0
M V30 21 N 7.69763 -7.79818 0.0 0
M V30 22 C 8.56359 -9.29733 0.0 0
M V30 23 C 6.8333 -9.30464 0.0 0
M V30 24 C 7.70308 -9.79824 0.0 0
M V30 25 Ru 7.72682 -5.67729 0.0 0
M V30 26 O 9.20801 -4.93397 0.0 0
M V30 27 C 9.70801 -5.8 0.0 0
M V30 28 O 9.20801 -6.66603 0.0 0
M V30 29 O 10.708 -5.8 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 10 11 25
M V30 28 10 25 21
M V30 29 10 25 14
M V30 30 10 25 4
M V30 31 1 26 27
M V30 32 1 27 28
M V30 33 2 27 29
M V30 34 1 26 25
M V30 35 1 28 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="F[P-](F)(F)(F)(F)F.C1C=CN2[Ru+2]([*])([*])(N3=CC=CC=C3C=2C=1)1N2C=CC=CC=2C2C=CC=CN=21" inchikey="CPFZZAZNEQBLAC-UHFFFAOYSA-N" inchi="1S/2C10H8N2.CO.2F6P.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;2*1-7(2,3,4,5)6;;/h2*1-8H;;;;1H2;/q;;;2*-1;;+2" float="none" width="200" height="200" r1="Cl,H" r2="CO,CO">
-INDIGO-01092415522D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 34 38 0 0 0
M V30 BEGIN ATOM
M V30 1 F 8.767 -6.05 0.0 0
M V30 2 P 9.633 -5.55 0.0 0 CHG=-1
M V30 3 F 10.499 -6.05 0.0 0
M V30 4 F 9.633 -4.55 0.0 0
M V30 5 F 8.767 -5.05 0.0 0
M V30 6 F 10.499 -5.05 0.0 0
M V30 7 F 9.633 -6.55 0.0 0
M V30 8 C 3.00985 -3.67507 0.0 0
M V30 9 C 4.74015 -3.67459 0.0 0
M V30 10 C 3.87664 -3.17497 0.0 0
M V30 11 N 4.74015 -4.67553 0.0 0
M V30 12 C 3.00985 -4.68002 0.0 0
M V30 13 C 3.87882 -5.17503 0.0 0
M V30 14 C 5.60641 -3.17499 0.0 0
M V30 15 C 6.47083 -1.67609 0.0 0
M V30 16 C 5.60649 -2.17428 0.0 0
M V30 17 C 7.33778 -2.17638 0.0 0
M V30 18 N 6.47682 -3.67729 0.0 0
M V30 19 C 7.3399 -3.17207 0.0 0
M V30 20 C 3.03485 -6.65007 0.0 0
M V30 21 N 4.76515 -6.64959 0.0 0
M V30 22 C 3.90164 -6.14997 0.0 0
M V30 23 C 4.76515 -7.65053 0.0 0
M V30 24 C 3.03485 -7.65502 0.0 0
M V30 25 C 3.90382 -8.15003 0.0 0
M V30 26 C 5.63166 -8.1497 0.0 0
M V30 27 C 7.36196 -8.14639 0.0 0
M V30 28 N 6.49763 -7.64818 0.0 0
M V30 29 C 7.36359 -9.14733 0.0 0
M V30 30 C 5.6333 -9.15464 0.0 0
M V30 31 C 6.50308 -9.64824 0.0 0
M V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
M V30 33 R# 7.4971 -4.94171 0.0 0 RGROUPS=(1 1)
M V30 34 R# 7.4972 -6.22553 0.0 0 RGROUPS=(1 2)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 2 10 8
M V30 8 2 11 9
M V30 9 1 8 12
M V30 10 1 9 10
M V30 11 2 12 13
M V30 12 1 13 11
M V30 13 1 9 14
M V30 14 2 16 14
M V30 15 2 17 15
M V30 16 1 14 18
M V30 17 1 15 16
M V30 18 2 18 19
M V30 19 1 19 17
M V30 20 2 22 20
M V30 21 2 23 21
M V30 22 1 20 24
M V30 23 1 21 22
M V30 24 2 24 25
M V30 25 1 25 23
M V30 26 1 23 26
M V30 27 2 28 26
M V30 28 2 29 27
M V30 29 1 26 30
M V30 30 1 27 28
M V30 31 2 30 31
M V30 32 1 31 29
M V30 33 10 11 32
M V30 34 10 32 21
M V30 35 10 32 28
M V30 36 10 32 18
M V30 37 10 32 33
M V30 38 10 32 34
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru+2]([*])([*])3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F" inchikey="MVHJANUNBKMKDC-UHFFFAOYSA-N" inchi="1S/2C10H8N2.2C3H6O.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3(2)4;2*1-7(2,3,4,5)6;/h2*1-8H;2*1-2H3;;;/q;;;;2*-1;+2" float="none" width="200" height="200" r1="H2O,CO(CH3)2" r2="CO,CO(CH3)2">
-INDIGO-01092415502D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 44 0 0 0
M V30 BEGIN ATOM
M V30 1 F 12.767 -3.05 0.0 0
M V30 2 P 13.633 -2.55 0.0 0 CHG=-1
M V30 3 F 14.499 -3.05 0.0 0
M V30 4 F 13.633 -1.55 0.0 0
M V30 5 F 12.767 -2.05 0.0 0
M V30 6 F 14.499 -2.05 0.0 0
M V30 7 F 13.633 -3.55 0.0 0
M V30 8 F 13.109 -6.375 0.0 0
M V30 9 P 13.975 -5.875 0.0 0 CHG=-1
M V30 10 F 14.841 -6.375 0.0 0
M V30 11 F 13.975 -4.875 0.0 0
M V30 12 F 13.109 -5.375 0.0 0
M V30 13 F 14.841 -5.375 0.0 0
M V30 14 F 13.975 -6.875 0.0 0
M V30 15 C 4.00985 -3.42507 0.0 0
M V30 16 C 5.74015 -3.42459 0.0 0
M V30 17 C 4.87664 -2.92497 0.0 0
M V30 18 N 5.74015 -4.42553 0.0 0
M V30 19 C 4.00985 -4.43002 0.0 0
M V30 20 C 4.87882 -4.92503 0.0 0
M V30 21 C 6.60641 -2.92499 0.0 0
M V30 22 C 7.47083 -1.42609 0.0 0
M V30 23 C 6.60649 -1.92428 0.0 0
M V30 24 C 8.33778 -1.92638 0.0 0
M V30 25 N 7.47682 -3.42729 0.0 0
M V30 26 C 8.3399 -2.92207 0.0 0
M V30 27 C 3.98485 -6.37507 0.0 0
M V30 28 N 5.71515 -6.37459 0.0 0
M V30 29 C 4.85164 -5.87497 0.0 0
M V30 30 C 5.71515 -7.37553 0.0 0
M V30 31 C 3.98485 -7.38002 0.0 0
M V30 32 C 4.85382 -7.87503 0.0 0
M V30 33 C 6.58166 -7.8747 0.0 0
M V30 34 C 8.31196 -7.87139 0.0 0
M V30 35 N 7.44763 -7.37318 0.0 0
M V30 36 C 8.31359 -8.87233 0.0 0
M V30 37 C 6.5833 -8.87964 0.0 0
M V30 38 C 7.45308 -9.37324 0.0 0
M V30 39 R# 8.87596 -6.15 0.0 0 RGROUPS=(1 2)
M V30 40 Ru 7.45618 -5.32553 0.0 0 CHG=2
M V30 41 R# 8.88398 -4.525 0.0 0 RGROUPS=(1 1)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 1 8 9
M V30 8 1 9 10
M V30 9 1 9 11
M V30 10 1 9 12
M V30 11 1 9 13
M V30 12 1 9 14
M V30 13 2 17 15
M V30 14 2 18 16
M V30 15 1 15 19
M V30 16 1 16 17
M V30 17 2 19 20
M V30 18 1 20 18
M V30 19 1 16 21
M V30 20 2 23 21
M V30 21 2 24 22
M V30 22 1 21 25
M V30 23 1 22 23
M V30 24 2 25 26
M V30 25 1 26 24
M V30 26 2 29 27
M V30 27 2 30 28
M V30 28 1 27 31
M V30 29 1 28 29
M V30 30 2 31 32
M V30 31 1 32 30
M V30 32 1 30 33
M V30 33 2 35 33
M V30 34 2 36 34
M V30 35 1 33 37
M V30 36 1 34 35
M V30 37 2 37 38
M V30 38 1 38 36
M V30 39 10 18 40
M V30 40 10 40 25
M V30 41 10 40 28
M V30 42 10 40 35
M V30 43 10 40 39
M V30 44 10 40 41
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Photosensitizer ====
<chemform smiles="C1C=C[C-]2[Ir+3]3([C-]4C=CC=CC=4C4C=CC=CN=43)3(N4=CC=CC=C4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.[P-](F)(F)(F)(F)(F)F" inchi="1S/2C11H8N.C10H8N2.F6P.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2*1-6,8-9H;1-8H;;/q2*-1;;-1;+3" inchikey="RJJGJTKSOSSNNL-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-08012317142D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.03485 -3.90007 0.0 0
M V30 2 C 5.76515 -3.89959 0.0 0
M V30 3 C 4.90164 -3.39997 0.0 0
M V30 4 C 5.76515 -4.90053 0.0 0 CHG=-1
M V30 5 C 4.03485 -4.90502 0.0 0
M V30 6 C 4.90382 -5.40003 0.0 0
M V30 7 C 6.63141 -3.39999 0.0 0
M V30 8 C 7.49583 -1.90109 0.0 0
M V30 9 C 6.63149 -2.39928 0.0 0
M V30 10 C 8.36278 -2.40138 0.0 0
M V30 11 N 7.50182 -3.90229 0.0 0
M V30 12 C 8.3649 -3.39706 0.0 0
M V30 13 C 4.08485 -6.82507 0.0 0
M V30 14 C 5.81515 -6.82459 0.0 0 CHG=-1
M V30 15 C 4.95164 -6.32497 0.0 0
M V30 16 C 5.81515 -7.82553 0.0 0
M V30 17 C 4.08485 -7.83002 0.0 0
M V30 18 C 4.95382 -8.32503 0.0 0
M V30 19 C 6.68166 -8.3247 0.0 0
M V30 20 C 8.41196 -8.32139 0.0 0
M V30 21 N 7.54763 -7.82318 0.0 0
M V30 22 C 8.41359 -9.32233 0.0 0
M V30 23 C 6.6833 -9.32964 0.0 0
M V30 24 C 7.55308 -9.82324 0.0 0
M V30 25 C 9.35985 -3.77507 0.0 0
M V30 26 C 11.0902 -3.77459 0.0 0
M V30 27 C 10.2266 -3.27497 0.0 0
M V30 28 C 11.0902 -4.77553 0.0 0
M V30 29 N 9.35985 -4.78002 0.0 0
M V30 30 C 10.2288 -5.27503 0.0 0
M V30 31 C 10.2327 -6.27503 0.0 0
M V30 32 C 11.105 -7.76933 0.0 0
M V30 33 C 11.1014 -6.7717 0.0 0
M V30 34 C 10.2405 -8.27372 0.0 0
M V30 35 N 9.36465 -6.78143 0.0 0
M V30 36 C 9.37498 -7.78146 0.0 0
M V30 37 Ir 7.55 -5.775 0.0 0 CHG=3
M V30 38 P 13.517 -3.7 0.0 0 CHG=-1
M V30 39 F 14.383 -3.2 0.0 0
M V30 40 F 12.651 -3.2 0.0 0
M V30 41 F 13.517 -4.7 0.0 0
M V30 42 F 14.383 -4.2 0.0 0
M V30 43 F 13.517 -2.7 0.0 0
M V30 44 F 12.651 -4.2 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 2 27 25
M V30 28 2 28 26
M V30 29 1 25 29
M V30 30 1 26 27
M V30 31 2 29 30
M V30 32 1 30 28
M V30 33 1 30 31
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 10 11 37
M V30 41 10 37 29
M V30 42 10 35 37
M V30 43 10 37 21
M V30 44 10 14 37
M V30 45 10 37 4
M V30 46 1 38 39
M V30 47 1 38 40
M V30 48 1 38 41
M V30 49 1 38 42
M V30 50 1 38 43
M V30 51 1 38 44
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Investigations ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 2}}

{{#experimentlist:|form=Cyclic_Voltammetry_experiments|name=Table 3 - CV}}

==== Sacrificial electron donor ====
In this study, the experiments were done with the sacrificial electron donor TEOA ([[Molecule:100507|100507]]).

==== Additives ====
No additives were used in the described experiments.

Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light/Table 3 - CV

2024-01-10T12:04:28Z

Helena:

{{Cyclic Voltammetry experiments
|experiments={{Cyclic Voltammetry
|anl=Molecule:100610
|redox potential=0,-2.11
|solv=Molecule:100530
|electrolyte=TBABF4
|el conc=0.1
|scan rate=100
|WE=glassy carbon
|WE area=0.79
|CE=platinum
|RE=Ag/AgNO3 in MeCN
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100482
|redox potential=0.45,-1.97
|solv=Molecule:100530
|electrolyte=TBABF4
|el conc=0.1
|scan rate=100
|WE=glassy carbon
|WE area=0.79
|CE=platinum
|RE=Ag/AgNO3 in MeCN
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100840
|redox potential=1.22,-1.75
|solv=Molecule:100530
|electrolyte=TBABF4
|el conc=0.1
|scan rate=100
|WE=glassy carbon
|WE area=0.79
|CE=platinum
|RE=Ag/AgNO3 in MeCN
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100838
|redox potential=1.20,-1.61
|solv=Molecule:100530
|electrolyte=TBABF4
|el conc=0.1
|scan rate=100
|WE=glassy carbon
|WE area=0.79
|CE=platinum
|RE=Ag/AgNO3 in MeCN
|include=Yes
}}
}}

Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light/Table 3 - CV

2024-01-10T12:03:07Z

Helena:

{{Cyclic Voltammetry experiments
|experiments={{Cyclic Voltammetry
|anl=Molecule:100610
|redox potential=0,-2.11
|solv=Molecule:100530
|electrolyte=TBABF4
|el conc=0.1
|scan rate=100
|WE=glassy carbon
|WE area=0.79
|CE=platinum
|RE=Ag/AgNO3 in MeCN
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100482
|redox potential=0.45,-1.97
|solv=Molecule:100530
|electrolyte=TBABF4
|el conc=0.1
|scan rate=100
|WE=glassy carbon
|WE area=0.79
|CE=platinum
|RE=Ag/AgNO3 in MeCN
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100840
|redox potential=1.22,-1.75
|solv=Molecule:100530
|el conc=0.1
|scan rate=100
|WE area=0.79
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100838
|redox potential=1.20,-1.61
|solv=Molecule:100530
|el conc=0.1
|scan rate=100
|WE area=0.79
|include=Yes
}}
}}

Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light/Table 3 - CV

2024-01-10T12:02:29Z

Helena:

Molecule:100838

2024-01-10T11:58:33Z

Helena:

{{Molecule
|abbrev=[Ru(bpy)2HCO][PF6]
|molecularFormula=C21H20F6N4OPRu+
|molecularMass=591.03169293009
|moleculeKey=HJTHNVDYVJWKQG-UHFFFAOYSA-N
|molOrRxn=-INDIGO-01102412462D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 35 39 0 0 0
M V30 BEGIN ATOM
M V30 1 F 8.767 -6.05 0.0 0
M V30 2 P 9.633 -5.55 0.0 0 CHG=-1
M V30 3 F 10.499 -6.05 0.0 0
M V30 4 F 9.633 -4.55 0.0 0
M V30 5 F 8.767 -5.05 0.0 0
M V30 6 F 10.499 -5.05 0.0 0
M V30 7 F 9.633 -6.55 0.0 0
M V30 8 C 3.00985 -3.67507 0.0 0
M V30 9 C 4.74015 -3.67459 0.0 0
M V30 10 C 3.87664 -3.17497 0.0 0
M V30 11 N 4.74015 -4.67553 0.0 0
M V30 12 C 3.00985 -4.68002 0.0 0
M V30 13 C 3.87882 -5.17503 0.0 0
M V30 14 C 5.60641 -3.17499 0.0 0
M V30 15 C 6.47083 -1.67609 0.0 0
M V30 16 C 5.60649 -2.17428 0.0 0
M V30 17 C 7.33778 -2.17638 0.0 0
M V30 18 N 6.47682 -3.67729 0.0 0
M V30 19 C 7.3399 -3.17207 0.0 0
M V30 20 C 3.03485 -6.65007 0.0 0
M V30 21 N 4.76515 -6.64959 0.0 0
M V30 22 C 3.90164 -6.14997 0.0 0
M V30 23 C 4.76515 -7.65053 0.0 0
M V30 24 C 3.03485 -7.65502 0.0 0
M V30 25 C 3.90382 -8.15003 0.0 0
M V30 26 C 5.63166 -8.1497 0.0 0
M V30 27 C 7.36196 -8.14639 0.0 0
M V30 28 N 6.49763 -7.64818 0.0 0
M V30 29 C 7.36359 -9.14733 0.0 0
M V30 30 C 5.6333 -9.15464 0.0 0
M V30 31 C 6.50308 -9.64824 0.0 0
M V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
M V30 33 C 7.4972 -6.22553 0.0 0 CHG=-1
M V30 34 O 8.45133 -6.80185 0.0 0 CHG=1
M V30 35 H 8.09721 -4.42553 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 4 10 8
M V30 8 4 11 9
M V30 9 4 8 12
M V30 10 4 9 10
M V30 11 4 12 13
M V30 12 4 13 11
M V30 13 1 9 14
M V30 14 4 16 14
M V30 15 4 17 15
M V30 16 4 14 18
M V30 17 4 15 16
M V30 18 4 18 19
M V30 19 4 19 17
M V30 20 4 22 20
M V30 21 4 23 21
M V30 22 4 20 24
M V30 23 4 21 22
M V30 24 4 24 25
M V30 25 4 25 23
M V30 26 1 23 26
M V30 27 4 28 26
M V30 28 4 29 27
M V30 29 4 26 30
M V30 30 4 27 28
M V30 31 4 30 31
M V30 32 4 31 29
M V30 33 10 11 32
M V30 34 10 32 21
M V30 35 10 32 28
M V30 36 10 32 18
M V30 37 3 33 34
M V30 38 10 32 33
M V30 39 10 32 35
M V30 END BOND
M V30 END CTAB
M END
|smiles=F[P-](F)(F)(F)(F)F.c1cc[n]2[Ru+2]([H-])([C-]#[O+])([n]3ccccc3-c2c1)1[n]2ccccc2-c2cccc[n]21
|inchi=1S/2C10H8N2.CO.F6P.Ru.H/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;1-7(2,3,4,5)6;;/h2*1-8H;;;;/q;;;-1;+2;-1
|inchikey=HJTHNVDYVJWKQG-UHFFFAOYSA-N
|width=200
|height=200
|float=none
|parent=Molecule:100836
}}

Molecule:100840

2024-01-10T11:57:52Z

Helena:

{{Molecule
|abbrev=[Ru(bpy)2ClCO][PF6]
|molecularFormula=C21H21ClF6N4OPRu+
|molecularMass=627.00837064209
|moleculeKey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
|molOrRxn=-INDIGO-01102412442D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 35 39 0 0 0
M V30 BEGIN ATOM
M V30 1 F 8.767 -6.05 0.0 0
M V30 2 P 9.633 -5.55 0.0 0 CHG=-1
M V30 3 F 10.499 -6.05 0.0 0
M V30 4 F 9.633 -4.55 0.0 0
M V30 5 F 8.767 -5.05 0.0 0
M V30 6 F 10.499 -5.05 0.0 0
M V30 7 F 9.633 -6.55 0.0 0
M V30 8 C 3.00985 -3.67507 0.0 0
M V30 9 C 4.74015 -3.67459 0.0 0
M V30 10 C 3.87664 -3.17497 0.0 0
M V30 11 N 4.74015 -4.67553 0.0 0
M V30 12 C 3.00985 -4.68002 0.0 0
M V30 13 C 3.87882 -5.17503 0.0 0
M V30 14 C 5.60641 -3.17499 0.0 0
M V30 15 C 6.47083 -1.67609 0.0 0
M V30 16 C 5.60649 -2.17428 0.0 0
M V30 17 C 7.33778 -2.17638 0.0 0
M V30 18 N 6.47682 -3.67729 0.0 0
M V30 19 C 7.3399 -3.17207 0.0 0
M V30 20 C 3.03485 -6.65007 0.0 0
M V30 21 N 4.76515 -6.64959 0.0 0
M V30 22 C 3.90164 -6.14997 0.0 0
M V30 23 C 4.76515 -7.65053 0.0 0
M V30 24 C 3.03485 -7.65502 0.0 0
M V30 25 C 3.90382 -8.15003 0.0 0
M V30 26 C 5.63166 -8.1497 0.0 0
M V30 27 C 7.36196 -8.14639 0.0 0
M V30 28 N 6.49763 -7.64818 0.0 0
M V30 29 C 7.36359 -9.14733 0.0 0
M V30 30 C 5.6333 -9.15464 0.0 0
M V30 31 C 6.50308 -9.64824 0.0 0
M V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
M V30 33 Cl 7.4972 -6.22553 0.0 0 CHG=-1
M V30 34 C 7.4971 -4.94171 0.0 0 CHG=-1
M V30 35 O 8.93222 -4.50533 0.0 0 CHG=1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 4 10 8
M V30 8 4 11 9
M V30 9 4 8 12
M V30 10 4 9 10
M V30 11 4 12 13
M V30 12 4 13 11
M V30 13 1 9 14
M V30 14 4 16 14
M V30 15 4 17 15
M V30 16 4 14 18
M V30 17 4 15 16
M V30 18 4 18 19
M V30 19 4 19 17
M V30 20 4 22 20
M V30 21 4 23 21
M V30 22 4 20 24
M V30 23 4 21 22
M V30 24 4 24 25
M V30 25 4 25 23
M V30 26 1 23 26
M V30 27 4 28 26
M V30 28 4 29 27
M V30 29 4 26 30
M V30 30 4 27 28
M V30 31 4 30 31
M V30 32 4 31 29
M V30 33 10 11 32
M V30 34 10 32 21
M V30 35 10 32 28
M V30 36 10 32 18
M V30 37 10 32 33
M V30 38 3 34 35
M V30 39 10 32 34
M V30 END BOND
M V30 END CTAB
M END
|smiles=F[P-](F)(F)(F)(F)F.c1cc[n]2[Ru+2]([C-]#[O+])([Cl-])([n]3ccccc3-c2c1)1[n]2ccccc2-c2cccc[n]21
|inchi=1S/2C10H8N2.CO.ClH.F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;;1-7(2,3,4,5)6;/h2*1-8H;;1H;;/q;;;;-1;+2/p-1
|inchikey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
|width=200
|height=200
|float=none
|parent=Molecule:100836
}}

Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light

2024-01-09T15:11:59Z

Helena:

{{BaseTemplate}}
[[Category:Photocatalytic CO2 conversion to HCOOH]]
{{#doiinfobox: 10.1002/cctc.201500494 }}{{MissingInvestigation}}{{FaultyMolecule}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to formic acid was shown using a system containing an iridium-based photosensitizer, ruthenium photocatalyst and triethanolamine as the electron donor. Turnover numbers up to 526 and a selectivity of 80% towards formic acid were observed if the reaction was performed with [Ir(ppy)2(bpy)]PF6 ({{#moleculelink:|link=RJJGJTKSOSSNNL-UHFFFAOYSA-N|image=false|width=300|height=200}}) as the photosensitizer and [Ru(bpy)2(Cl)(CO)]PF6 ({{#moleculelink:|link=MGJRIOOPVXEIGZ-UHFFFAOYSA-N|image=false|width=300|height=200}}) as the catalyst. The experiments were conducted under irradiation with Hg-lamp equipped with a ''λ''=400–700 nm filter.

==== Advances and special progress ====
The employed photocatalytic system showed activity for the photoreduction of Na2CO3 to formic acid as well. A TON of 53 was observed after 5h reaction time.

==== Additional remarks ====
Experiments using different electron and proton donors such as triethylamine (TEA) and 1-benzyl-1,4-dihydronicotinamide (BNAH) were unsuccessful as the observed activities were lower than those obtained in the presence of TEOA.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to formic under visible-light catalysis using ruthenium complexes as catalysts, the iridium complex [Ir(ppy)2(bpy)]PF6 ({{#moleculelink:|link=RJJGJTKSOSSNNL-UHFFFAOYSA-N|image=false|width=300|height=200}}) as a photosensitizer and triethanolamine as the electron donor. The catalytic system performs best (referring to the TON of HCOOH production) with [Ru(bpy)2(Cl)(CO)]PF6 ({{#moleculelink:|link=MGJRIOOPVXEIGZ-UHFFFAOYSA-N|image=false|width=300|height=200}}) as photocatalyst.

==== Catalysts ====
<chemform smiles="C1C=CN2~[Ru+2](~[Cl-])(~[Cl-])3(~N4C=CC=CC=4C4N~3=CC=CC=4)~N3C=CC=CC=3C=2C=1" inchikey="MGAJEYXQYJBLQL-UHFFFAOYSA-L" inchi="1S/2C10H8N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*1-8H;2*1H;/q;;;;+2/p-2" float="none" width="200" height="200" r1="Cl,Cl,H" r2="Cl,CO,CO">
-INDIGO-01092415422D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 27 32 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.42164 -3.4051 0.0 0
M V30 2 C 6.16573 -3.41315 0.0 0
M V30 3 C 5.23126 -2.93902 0.0 0
M V30 4 N 6.24607 -4.34967 0.0 0
M V30 5 C 4.43988 -4.2752 0.0 0
M V30 6 C 5.33647 -4.80741 0.0 0
M V30 7 C 7.1536 -2.01998 0.0 0
M V30 8 C 8.69562 -2.15033 0.0 0
M V30 9 C 7.97052 -1.65293 0.0 0
M V30 10 C 8.6606 -3.11885 0.0 0
M V30 11 C 7.04069 -2.96795 0.0 0
M V30 12 N 7.81868 -3.57293 0.0 0
M V30 13 C 5.6923 -5.52361 0.0 0
M V30 14 C 6.93663 -6.52444 0.0 0
M V30 15 N 6.60503 -5.6549 0.0 0
M V30 16 C 6.34029 -7.29343 0.0 0
M V30 17 C 5.12026 -6.37657 0.0 0
M V30 18 C 5.48652 -7.18714 0.0 0
M V30 19 C 7.64521 -6.74796 0.0 0
M V30 20 C 9.23795 -6.29939 0.0 0
M V30 21 N 8.25086 -6.00768 0.0 0
M V30 22 C 9.43514 -7.33957 0.0 0
M V30 23 C 7.96229 -7.64558 0.0 0
M V30 24 C 8.77162 -7.93243 0.0 0
M V30 25 Cl 8.45093 -4.23617 0.0 0 CHG=-1
M V30 26 Cl 8.54195 -5.09895 0.0 0 CHG=-1
M V30 27 Ru 7.51723 -4.8062 0.0 0 CHG=2
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 2 21 19
M V30 20 2 22 20
M V30 21 1 19 23
M V30 22 1 20 21
M V30 23 2 23 24
M V30 24 1 24 22
M V30 25 1 2 11
M V30 26 1 14 19
M V30 27 8 4 27
M V30 28 8 12 27
M V30 29 8 15 27
M V30 30 8 21 27
M V30 31 8 27 26
M V30 32 8 27 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru]3(OC(=O)O3)3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1" inchi="1S/2C10H8N2.CH2O3.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3)4;/h2*1-8H;(H2,2,3,4);/q;;;+2/p-2" inchikey="BEIFWAYVOBNDMH-UHFFFAOYSA-L" height="200px" width="300px" float="none">
-INDIGO-07282310362D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 29 35 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.20985 -3.82507 0.0 0
M V30 2 C 5.94015 -3.82459 0.0 0
M V30 3 C 5.07664 -3.32497 0.0 0
M V30 4 N 5.94015 -4.82553 0.0 0
M V30 5 C 4.20985 -4.83002 0.0 0
M V30 6 C 5.07882 -5.32503 0.0 0
M V30 7 C 6.80641 -3.32499 0.0 0
M V30 8 C 7.67083 -1.82609 0.0 0
M V30 9 C 6.80649 -2.32428 0.0 0
M V30 10 C 8.53778 -2.32638 0.0 0
M V30 11 N 7.67682 -3.82729 0.0 0
M V30 12 C 8.5399 -3.32207 0.0 0
M V30 13 C 4.23485 -6.80007 0.0 0
M V30 14 N 5.96515 -6.79959 0.0 0
M V30 15 C 5.10164 -6.29997 0.0 0
M V30 16 C 5.96515 -7.80053 0.0 0
M V30 17 C 4.23485 -7.80502 0.0 0
M V30 18 C 5.10382 -8.30003 0.0 0
M V30 19 C 6.83166 -8.2997 0.0 0
M V30 20 C 8.56196 -8.29639 0.0 0
M V30 21 N 7.69763 -7.79818 0.0 0
M V30 22 C 8.56359 -9.29733 0.0 0
M V30 23 C 6.8333 -9.30464 0.0 0
M V30 24 C 7.70308 -9.79824 0.0 0
M V30 25 Ru 7.72682 -5.67729 0.0 0
M V30 26 O 9.20801 -4.93397 0.0 0
M V30 27 C 9.70801 -5.8 0.0 0
M V30 28 O 9.20801 -6.66603 0.0 0
M V30 29 O 10.708 -5.8 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 10 11 25
M V30 28 10 25 21
M V30 29 10 25 14
M V30 30 10 25 4
M V30 31 1 26 27
M V30 32 1 27 28
M V30 33 2 27 29
M V30 34 1 26 25
M V30 35 1 28 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="F[P-](F)(F)(F)(F)F.C1C=CN2[Ru+2]([*])([*])(N3=CC=CC=C3C=2C=1)1N2C=CC=CC=2C2C=CC=CN=21" inchikey="CPFZZAZNEQBLAC-UHFFFAOYSA-N" inchi="1S/2C10H8N2.CO.2F6P.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;2*1-7(2,3,4,5)6;;/h2*1-8H;;;;1H2;/q;;;2*-1;;+2" float="none" width="200" height="200" r1="Cl,H" r2="CO,CO">
-INDIGO-01092415522D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 34 38 0 0 0
M V30 BEGIN ATOM
M V30 1 F 8.767 -6.05 0.0 0
M V30 2 P 9.633 -5.55 0.0 0 CHG=-1
M V30 3 F 10.499 -6.05 0.0 0
M V30 4 F 9.633 -4.55 0.0 0
M V30 5 F 8.767 -5.05 0.0 0
M V30 6 F 10.499 -5.05 0.0 0
M V30 7 F 9.633 -6.55 0.0 0
M V30 8 C 3.00985 -3.67507 0.0 0
M V30 9 C 4.74015 -3.67459 0.0 0
M V30 10 C 3.87664 -3.17497 0.0 0
M V30 11 N 4.74015 -4.67553 0.0 0
M V30 12 C 3.00985 -4.68002 0.0 0
M V30 13 C 3.87882 -5.17503 0.0 0
M V30 14 C 5.60641 -3.17499 0.0 0
M V30 15 C 6.47083 -1.67609 0.0 0
M V30 16 C 5.60649 -2.17428 0.0 0
M V30 17 C 7.33778 -2.17638 0.0 0
M V30 18 N 6.47682 -3.67729 0.0 0
M V30 19 C 7.3399 -3.17207 0.0 0
M V30 20 C 3.03485 -6.65007 0.0 0
M V30 21 N 4.76515 -6.64959 0.0 0
M V30 22 C 3.90164 -6.14997 0.0 0
M V30 23 C 4.76515 -7.65053 0.0 0
M V30 24 C 3.03485 -7.65502 0.0 0
M V30 25 C 3.90382 -8.15003 0.0 0
M V30 26 C 5.63166 -8.1497 0.0 0
M V30 27 C 7.36196 -8.14639 0.0 0
M V30 28 N 6.49763 -7.64818 0.0 0
M V30 29 C 7.36359 -9.14733 0.0 0
M V30 30 C 5.6333 -9.15464 0.0 0
M V30 31 C 6.50308 -9.64824 0.0 0
M V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
M V30 33 R# 7.4971 -4.94171 0.0 0 RGROUPS=(1 1)
M V30 34 R# 7.4972 -6.22553 0.0 0 RGROUPS=(1 2)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 2 10 8
M V30 8 2 11 9
M V30 9 1 8 12
M V30 10 1 9 10
M V30 11 2 12 13
M V30 12 1 13 11
M V30 13 1 9 14
M V30 14 2 16 14
M V30 15 2 17 15
M V30 16 1 14 18
M V30 17 1 15 16
M V30 18 2 18 19
M V30 19 1 19 17
M V30 20 2 22 20
M V30 21 2 23 21
M V30 22 1 20 24
M V30 23 1 21 22
M V30 24 2 24 25
M V30 25 1 25 23
M V30 26 1 23 26
M V30 27 2 28 26
M V30 28 2 29 27
M V30 29 1 26 30
M V30 30 1 27 28
M V30 31 2 30 31
M V30 32 1 31 29
M V30 33 10 11 32
M V30 34 10 32 21
M V30 35 10 32 28
M V30 36 10 32 18
M V30 37 10 32 33
M V30 38 10 32 34
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru+2]([*])([*])3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F" inchikey="MVHJANUNBKMKDC-UHFFFAOYSA-N" inchi="1S/2C10H8N2.2C3H6O.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3(2)4;2*1-7(2,3,4,5)6;/h2*1-8H;2*1-2H3;;;/q;;;;2*-1;+2" float="none" width="200" height="200" r1="H2O,CO(CH3)2" r2="CO,CO(CH3)2">
-INDIGO-01092415502D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 44 0 0 0
M V30 BEGIN ATOM
M V30 1 F 12.767 -3.05 0.0 0
M V30 2 P 13.633 -2.55 0.0 0 CHG=-1
M V30 3 F 14.499 -3.05 0.0 0
M V30 4 F 13.633 -1.55 0.0 0
M V30 5 F 12.767 -2.05 0.0 0
M V30 6 F 14.499 -2.05 0.0 0
M V30 7 F 13.633 -3.55 0.0 0
M V30 8 F 13.109 -6.375 0.0 0
M V30 9 P 13.975 -5.875 0.0 0 CHG=-1
M V30 10 F 14.841 -6.375 0.0 0
M V30 11 F 13.975 -4.875 0.0 0
M V30 12 F 13.109 -5.375 0.0 0
M V30 13 F 14.841 -5.375 0.0 0
M V30 14 F 13.975 -6.875 0.0 0
M V30 15 C 4.00985 -3.42507 0.0 0
M V30 16 C 5.74015 -3.42459 0.0 0
M V30 17 C 4.87664 -2.92497 0.0 0
M V30 18 N 5.74015 -4.42553 0.0 0
M V30 19 C 4.00985 -4.43002 0.0 0
M V30 20 C 4.87882 -4.92503 0.0 0
M V30 21 C 6.60641 -2.92499 0.0 0
M V30 22 C 7.47083 -1.42609 0.0 0
M V30 23 C 6.60649 -1.92428 0.0 0
M V30 24 C 8.33778 -1.92638 0.0 0
M V30 25 N 7.47682 -3.42729 0.0 0
M V30 26 C 8.3399 -2.92207 0.0 0
M V30 27 C 3.98485 -6.37507 0.0 0
M V30 28 N 5.71515 -6.37459 0.0 0
M V30 29 C 4.85164 -5.87497 0.0 0
M V30 30 C 5.71515 -7.37553 0.0 0
M V30 31 C 3.98485 -7.38002 0.0 0
M V30 32 C 4.85382 -7.87503 0.0 0
M V30 33 C 6.58166 -7.8747 0.0 0
M V30 34 C 8.31196 -7.87139 0.0 0
M V30 35 N 7.44763 -7.37318 0.0 0
M V30 36 C 8.31359 -8.87233 0.0 0
M V30 37 C 6.5833 -8.87964 0.0 0
M V30 38 C 7.45308 -9.37324 0.0 0
M V30 39 R# 8.87596 -6.15 0.0 0 RGROUPS=(1 2)
M V30 40 Ru 7.45618 -5.32553 0.0 0 CHG=2
M V30 41 R# 8.88398 -4.525 0.0 0 RGROUPS=(1 1)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 1 8 9
M V30 8 1 9 10
M V30 9 1 9 11
M V30 10 1 9 12
M V30 11 1 9 13
M V30 12 1 9 14
M V30 13 2 17 15
M V30 14 2 18 16
M V30 15 1 15 19
M V30 16 1 16 17
M V30 17 2 19 20
M V30 18 1 20 18
M V30 19 1 16 21
M V30 20 2 23 21
M V30 21 2 24 22
M V30 22 1 21 25
M V30 23 1 22 23
M V30 24 2 25 26
M V30 25 1 26 24
M V30 26 2 29 27
M V30 27 2 30 28
M V30 28 1 27 31
M V30 29 1 28 29
M V30 30 2 31 32
M V30 31 1 32 30
M V30 32 1 30 33
M V30 33 2 35 33
M V30 34 2 36 34
M V30 35 1 33 37
M V30 36 1 34 35
M V30 37 2 37 38
M V30 38 1 38 36
M V30 39 10 18 40
M V30 40 10 40 25
M V30 41 10 40 28
M V30 42 10 40 35
M V30 43 10 40 39
M V30 44 10 40 41
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Photosensitizer ====
<chemform smiles="C1C=C[C-]2[Ir+3]3([C-]4C=CC=CC=4C4C=CC=CN=43)3(N4=CC=CC=C4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.[P-](F)(F)(F)(F)(F)F" inchi="1S/2C11H8N.C10H8N2.F6P.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2*1-6,8-9H;1-8H;;/q2*-1;;-1;+3" inchikey="RJJGJTKSOSSNNL-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-08012317142D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.03485 -3.90007 0.0 0
M V30 2 C 5.76515 -3.89959 0.0 0
M V30 3 C 4.90164 -3.39997 0.0 0
M V30 4 C 5.76515 -4.90053 0.0 0 CHG=-1
M V30 5 C 4.03485 -4.90502 0.0 0
M V30 6 C 4.90382 -5.40003 0.0 0
M V30 7 C 6.63141 -3.39999 0.0 0
M V30 8 C 7.49583 -1.90109 0.0 0
M V30 9 C 6.63149 -2.39928 0.0 0
M V30 10 C 8.36278 -2.40138 0.0 0
M V30 11 N 7.50182 -3.90229 0.0 0
M V30 12 C 8.3649 -3.39706 0.0 0
M V30 13 C 4.08485 -6.82507 0.0 0
M V30 14 C 5.81515 -6.82459 0.0 0 CHG=-1
M V30 15 C 4.95164 -6.32497 0.0 0
M V30 16 C 5.81515 -7.82553 0.0 0
M V30 17 C 4.08485 -7.83002 0.0 0
M V30 18 C 4.95382 -8.32503 0.0 0
M V30 19 C 6.68166 -8.3247 0.0 0
M V30 20 C 8.41196 -8.32139 0.0 0
M V30 21 N 7.54763 -7.82318 0.0 0
M V30 22 C 8.41359 -9.32233 0.0 0
M V30 23 C 6.6833 -9.32964 0.0 0
M V30 24 C 7.55308 -9.82324 0.0 0
M V30 25 C 9.35985 -3.77507 0.0 0
M V30 26 C 11.0902 -3.77459 0.0 0
M V30 27 C 10.2266 -3.27497 0.0 0
M V30 28 C 11.0902 -4.77553 0.0 0
M V30 29 N 9.35985 -4.78002 0.0 0
M V30 30 C 10.2288 -5.27503 0.0 0
M V30 31 C 10.2327 -6.27503 0.0 0
M V30 32 C 11.105 -7.76933 0.0 0
M V30 33 C 11.1014 -6.7717 0.0 0
M V30 34 C 10.2405 -8.27372 0.0 0
M V30 35 N 9.36465 -6.78143 0.0 0
M V30 36 C 9.37498 -7.78146 0.0 0
M V30 37 Ir 7.55 -5.775 0.0 0 CHG=3
M V30 38 P 13.517 -3.7 0.0 0 CHG=-1
M V30 39 F 14.383 -3.2 0.0 0
M V30 40 F 12.651 -3.2 0.0 0
M V30 41 F 13.517 -4.7 0.0 0
M V30 42 F 14.383 -4.2 0.0 0
M V30 43 F 13.517 -2.7 0.0 0
M V30 44 F 12.651 -4.2 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 2 27 25
M V30 28 2 28 26
M V30 29 1 25 29
M V30 30 1 26 27
M V30 31 2 29 30
M V30 32 1 30 28
M V30 33 1 30 31
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 10 11 37
M V30 41 10 37 29
M V30 42 10 35 37
M V30 43 10 37 21
M V30 44 10 14 37
M V30 45 10 37 4
M V30 46 1 38 39
M V30 47 1 38 40
M V30 48 1 38 41
M V30 49 1 38 42
M V30 50 1 38 43
M V30 51 1 38 44
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Investigations ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 2}}

{{#experimentlist:|form=Cyclic_Voltammetry_experiments|name=Table 3 - CV}}

==== Sacrificial electron donor ====
In this study, the experiments were done with the sacrificial electron donor TEOA ([[Molecule:100507|100507]]).

==== Additives ====
No additives were used in the described experiments.

Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light

2024-01-09T14:59:01Z

Helena:

{{BaseTemplate}}
[[Category:Photocatalytic CO2 conversion to HCOOH]]
{{#doiinfobox: 10.1002/cctc.201500494 }}{{MissingInvestigation}}{{FaultyMolecule}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to formic acid was shown using a system containing an iridium-based photosensitizer, ruthenium photocatalyst and triethanolamine as the electron donor. Turnover numbers up to 526 and a selectivity of 80% towards formic acid were observed if the reaction was performed with [Ir(ppy)2(bpy)]PF6 ({{#moleculelink:|link=RJJGJTKSOSSNNL-UHFFFAOYSA-N|image=false|width=300|height=200}}) as the photosensitizer and [Ru(bpy)2(Cl)(CO)]PF6 as the catalyst. The experiments were conducted under irradiation with Hg-lamp equipped with a ''λ''=400–700 nm filter.

==== Advances and special progress ====
The employed photocatalytic system showed activity for the photoreduction of Na2CO3 to formic acid as well. A TON of 53 was observed after 5h reaction time.

==== Additional remarks ====
Experiments using different electron and proton donors such as triethylamine (TEA) and 1-benzyl-1,4-dihydronicotinamide (BNAH) were unsuccessful as the observed activities were lower than those obtained in the presence of TEOA.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to formic under visible-light catalysis using ruthenium complexes as catalysts, the iridium complex [Ir(ppy)2(bpy)]PF6 ({{#moleculelink:|link=RJJGJTKSOSSNNL-UHFFFAOYSA-N|image=false|width=300|height=200}}) as a photosensitizer and triethanolamine as the electron donor. The catalytic system performs best (referring to the TON of HCOOH production) with [Ru(bpy)2(Cl)(CO)]PF6 as photocatalyst.

==== Catalysts ====
<chemform smiles="C1C=CN2~[Ru+2](~[Cl-])(~[Cl-])3(~N4C=CC=CC=4C4N~3=CC=CC=4)~N3C=CC=CC=3C=2C=1" inchikey="MGAJEYXQYJBLQL-UHFFFAOYSA-L" inchi="1S/2C10H8N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*1-8H;2*1H;/q;;;;+2/p-2" float="none" width="200" height="200" r1="Cl,Cl,H" r2="Cl,CO,CO">
-INDIGO-01092415422D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 27 32 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.42164 -3.4051 0.0 0
M V30 2 C 6.16573 -3.41315 0.0 0
M V30 3 C 5.23126 -2.93902 0.0 0
M V30 4 N 6.24607 -4.34967 0.0 0
M V30 5 C 4.43988 -4.2752 0.0 0
M V30 6 C 5.33647 -4.80741 0.0 0
M V30 7 C 7.1536 -2.01998 0.0 0
M V30 8 C 8.69562 -2.15033 0.0 0
M V30 9 C 7.97052 -1.65293 0.0 0
M V30 10 C 8.6606 -3.11885 0.0 0
M V30 11 C 7.04069 -2.96795 0.0 0
M V30 12 N 7.81868 -3.57293 0.0 0
M V30 13 C 5.6923 -5.52361 0.0 0
M V30 14 C 6.93663 -6.52444 0.0 0
M V30 15 N 6.60503 -5.6549 0.0 0
M V30 16 C 6.34029 -7.29343 0.0 0
M V30 17 C 5.12026 -6.37657 0.0 0
M V30 18 C 5.48652 -7.18714 0.0 0
M V30 19 C 7.64521 -6.74796 0.0 0
M V30 20 C 9.23795 -6.29939 0.0 0
M V30 21 N 8.25086 -6.00768 0.0 0
M V30 22 C 9.43514 -7.33957 0.0 0
M V30 23 C 7.96229 -7.64558 0.0 0
M V30 24 C 8.77162 -7.93243 0.0 0
M V30 25 Cl 8.45093 -4.23617 0.0 0 CHG=-1
M V30 26 Cl 8.54195 -5.09895 0.0 0 CHG=-1
M V30 27 Ru 7.51723 -4.8062 0.0 0 CHG=2
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 2 21 19
M V30 20 2 22 20
M V30 21 1 19 23
M V30 22 1 20 21
M V30 23 2 23 24
M V30 24 1 24 22
M V30 25 1 2 11
M V30 26 1 14 19
M V30 27 8 4 27
M V30 28 8 12 27
M V30 29 8 15 27
M V30 30 8 21 27
M V30 31 8 27 26
M V30 32 8 27 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru]3(OC(=O)O3)3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1" inchi="1S/2C10H8N2.CH2O3.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3)4;/h2*1-8H;(H2,2,3,4);/q;;;+2/p-2" inchikey="BEIFWAYVOBNDMH-UHFFFAOYSA-L" height="200px" width="300px" float="none">
-INDIGO-07282310362D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 29 35 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.20985 -3.82507 0.0 0
M V30 2 C 5.94015 -3.82459 0.0 0
M V30 3 C 5.07664 -3.32497 0.0 0
M V30 4 N 5.94015 -4.82553 0.0 0
M V30 5 C 4.20985 -4.83002 0.0 0
M V30 6 C 5.07882 -5.32503 0.0 0
M V30 7 C 6.80641 -3.32499 0.0 0
M V30 8 C 7.67083 -1.82609 0.0 0
M V30 9 C 6.80649 -2.32428 0.0 0
M V30 10 C 8.53778 -2.32638 0.0 0
M V30 11 N 7.67682 -3.82729 0.0 0
M V30 12 C 8.5399 -3.32207 0.0 0
M V30 13 C 4.23485 -6.80007 0.0 0
M V30 14 N 5.96515 -6.79959 0.0 0
M V30 15 C 5.10164 -6.29997 0.0 0
M V30 16 C 5.96515 -7.80053 0.0 0
M V30 17 C 4.23485 -7.80502 0.0 0
M V30 18 C 5.10382 -8.30003 0.0 0
M V30 19 C 6.83166 -8.2997 0.0 0
M V30 20 C 8.56196 -8.29639 0.0 0
M V30 21 N 7.69763 -7.79818 0.0 0
M V30 22 C 8.56359 -9.29733 0.0 0
M V30 23 C 6.8333 -9.30464 0.0 0
M V30 24 C 7.70308 -9.79824 0.0 0
M V30 25 Ru 7.72682 -5.67729 0.0 0
M V30 26 O 9.20801 -4.93397 0.0 0
M V30 27 C 9.70801 -5.8 0.0 0
M V30 28 O 9.20801 -6.66603 0.0 0
M V30 29 O 10.708 -5.8 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 10 11 25
M V30 28 10 25 21
M V30 29 10 25 14
M V30 30 10 25 4
M V30 31 1 26 27
M V30 32 1 27 28
M V30 33 2 27 29
M V30 34 1 26 25
M V30 35 1 28 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="F[P-](F)(F)(F)(F)F.C1C=CN2[Ru+2]([*])([*])(N3=CC=CC=C3C=2C=1)1N2C=CC=CC=2C2C=CC=CN=21" inchikey="CPFZZAZNEQBLAC-UHFFFAOYSA-N" inchi="1S/2C10H8N2.CO.2F6P.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;2*1-7(2,3,4,5)6;;/h2*1-8H;;;;1H2;/q;;;2*-1;;+2" float="none" width="200" height="200" r1="Cl,H" r2="CO,CO">
-INDIGO-01092415522D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 34 38 0 0 0
M V30 BEGIN ATOM
M V30 1 F 8.767 -6.05 0.0 0
M V30 2 P 9.633 -5.55 0.0 0 CHG=-1
M V30 3 F 10.499 -6.05 0.0 0
M V30 4 F 9.633 -4.55 0.0 0
M V30 5 F 8.767 -5.05 0.0 0
M V30 6 F 10.499 -5.05 0.0 0
M V30 7 F 9.633 -6.55 0.0 0
M V30 8 C 3.00985 -3.67507 0.0 0
M V30 9 C 4.74015 -3.67459 0.0 0
M V30 10 C 3.87664 -3.17497 0.0 0
M V30 11 N 4.74015 -4.67553 0.0 0
M V30 12 C 3.00985 -4.68002 0.0 0
M V30 13 C 3.87882 -5.17503 0.0 0
M V30 14 C 5.60641 -3.17499 0.0 0
M V30 15 C 6.47083 -1.67609 0.0 0
M V30 16 C 5.60649 -2.17428 0.0 0
M V30 17 C 7.33778 -2.17638 0.0 0
M V30 18 N 6.47682 -3.67729 0.0 0
M V30 19 C 7.3399 -3.17207 0.0 0
M V30 20 C 3.03485 -6.65007 0.0 0
M V30 21 N 4.76515 -6.64959 0.0 0
M V30 22 C 3.90164 -6.14997 0.0 0
M V30 23 C 4.76515 -7.65053 0.0 0
M V30 24 C 3.03485 -7.65502 0.0 0
M V30 25 C 3.90382 -8.15003 0.0 0
M V30 26 C 5.63166 -8.1497 0.0 0
M V30 27 C 7.36196 -8.14639 0.0 0
M V30 28 N 6.49763 -7.64818 0.0 0
M V30 29 C 7.36359 -9.14733 0.0 0
M V30 30 C 5.6333 -9.15464 0.0 0
M V30 31 C 6.50308 -9.64824 0.0 0
M V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
M V30 33 R# 7.4971 -4.94171 0.0 0 RGROUPS=(1 1)
M V30 34 R# 7.4972 -6.22553 0.0 0 RGROUPS=(1 2)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 2 10 8
M V30 8 2 11 9
M V30 9 1 8 12
M V30 10 1 9 10
M V30 11 2 12 13
M V30 12 1 13 11
M V30 13 1 9 14
M V30 14 2 16 14
M V30 15 2 17 15
M V30 16 1 14 18
M V30 17 1 15 16
M V30 18 2 18 19
M V30 19 1 19 17
M V30 20 2 22 20
M V30 21 2 23 21
M V30 22 1 20 24
M V30 23 1 21 22
M V30 24 2 24 25
M V30 25 1 25 23
M V30 26 1 23 26
M V30 27 2 28 26
M V30 28 2 29 27
M V30 29 1 26 30
M V30 30 1 27 28
M V30 31 2 30 31
M V30 32 1 31 29
M V30 33 10 11 32
M V30 34 10 32 21
M V30 35 10 32 28
M V30 36 10 32 18
M V30 37 10 32 33
M V30 38 10 32 34
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru+2]([*])([*])3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F" inchikey="MVHJANUNBKMKDC-UHFFFAOYSA-N" inchi="1S/2C10H8N2.2C3H6O.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3(2)4;2*1-7(2,3,4,5)6;/h2*1-8H;2*1-2H3;;;/q;;;;2*-1;+2" float="none" width="200" height="200" r1="H2O,CO(CH3)2" r2="CO,CO(CH3)2">
-INDIGO-01092415502D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 44 0 0 0
M V30 BEGIN ATOM
M V30 1 F 12.767 -3.05 0.0 0
M V30 2 P 13.633 -2.55 0.0 0 CHG=-1
M V30 3 F 14.499 -3.05 0.0 0
M V30 4 F 13.633 -1.55 0.0 0
M V30 5 F 12.767 -2.05 0.0 0
M V30 6 F 14.499 -2.05 0.0 0
M V30 7 F 13.633 -3.55 0.0 0
M V30 8 F 13.109 -6.375 0.0 0
M V30 9 P 13.975 -5.875 0.0 0 CHG=-1
M V30 10 F 14.841 -6.375 0.0 0
M V30 11 F 13.975 -4.875 0.0 0
M V30 12 F 13.109 -5.375 0.0 0
M V30 13 F 14.841 -5.375 0.0 0
M V30 14 F 13.975 -6.875 0.0 0
M V30 15 C 4.00985 -3.42507 0.0 0
M V30 16 C 5.74015 -3.42459 0.0 0
M V30 17 C 4.87664 -2.92497 0.0 0
M V30 18 N 5.74015 -4.42553 0.0 0
M V30 19 C 4.00985 -4.43002 0.0 0
M V30 20 C 4.87882 -4.92503 0.0 0
M V30 21 C 6.60641 -2.92499 0.0 0
M V30 22 C 7.47083 -1.42609 0.0 0
M V30 23 C 6.60649 -1.92428 0.0 0
M V30 24 C 8.33778 -1.92638 0.0 0
M V30 25 N 7.47682 -3.42729 0.0 0
M V30 26 C 8.3399 -2.92207 0.0 0
M V30 27 C 3.98485 -6.37507 0.0 0
M V30 28 N 5.71515 -6.37459 0.0 0
M V30 29 C 4.85164 -5.87497 0.0 0
M V30 30 C 5.71515 -7.37553 0.0 0
M V30 31 C 3.98485 -7.38002 0.0 0
M V30 32 C 4.85382 -7.87503 0.0 0
M V30 33 C 6.58166 -7.8747 0.0 0
M V30 34 C 8.31196 -7.87139 0.0 0
M V30 35 N 7.44763 -7.37318 0.0 0
M V30 36 C 8.31359 -8.87233 0.0 0
M V30 37 C 6.5833 -8.87964 0.0 0
M V30 38 C 7.45308 -9.37324 0.0 0
M V30 39 R# 8.87596 -6.15 0.0 0 RGROUPS=(1 2)
M V30 40 Ru 7.45618 -5.32553 0.0 0 CHG=2
M V30 41 R# 8.88398 -4.525 0.0 0 RGROUPS=(1 1)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 1 8 9
M V30 8 1 9 10
M V30 9 1 9 11
M V30 10 1 9 12
M V30 11 1 9 13
M V30 12 1 9 14
M V30 13 2 17 15
M V30 14 2 18 16
M V30 15 1 15 19
M V30 16 1 16 17
M V30 17 2 19 20
M V30 18 1 20 18
M V30 19 1 16 21
M V30 20 2 23 21
M V30 21 2 24 22
M V30 22 1 21 25
M V30 23 1 22 23
M V30 24 2 25 26
M V30 25 1 26 24
M V30 26 2 29 27
M V30 27 2 30 28
M V30 28 1 27 31
M V30 29 1 28 29
M V30 30 2 31 32
M V30 31 1 32 30
M V30 32 1 30 33
M V30 33 2 35 33
M V30 34 2 36 34
M V30 35 1 33 37
M V30 36 1 34 35
M V30 37 2 37 38
M V30 38 1 38 36
M V30 39 10 18 40
M V30 40 10 40 25
M V30 41 10 40 28
M V30 42 10 40 35
M V30 43 10 40 39
M V30 44 10 40 41
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Photosensitizer ====
<chemform smiles="C1C=C[C-]2[Ir+3]3([C-]4C=CC=CC=4C4C=CC=CN=43)3(N4=CC=CC=C4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.[P-](F)(F)(F)(F)(F)F" inchi="1S/2C11H8N.C10H8N2.F6P.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2*1-6,8-9H;1-8H;;/q2*-1;;-1;+3" inchikey="RJJGJTKSOSSNNL-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-08012317142D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.03485 -3.90007 0.0 0
M V30 2 C 5.76515 -3.89959 0.0 0
M V30 3 C 4.90164 -3.39997 0.0 0
M V30 4 C 5.76515 -4.90053 0.0 0 CHG=-1
M V30 5 C 4.03485 -4.90502 0.0 0
M V30 6 C 4.90382 -5.40003 0.0 0
M V30 7 C 6.63141 -3.39999 0.0 0
M V30 8 C 7.49583 -1.90109 0.0 0
M V30 9 C 6.63149 -2.39928 0.0 0
M V30 10 C 8.36278 -2.40138 0.0 0
M V30 11 N 7.50182 -3.90229 0.0 0
M V30 12 C 8.3649 -3.39706 0.0 0
M V30 13 C 4.08485 -6.82507 0.0 0
M V30 14 C 5.81515 -6.82459 0.0 0 CHG=-1
M V30 15 C 4.95164 -6.32497 0.0 0
M V30 16 C 5.81515 -7.82553 0.0 0
M V30 17 C 4.08485 -7.83002 0.0 0
M V30 18 C 4.95382 -8.32503 0.0 0
M V30 19 C 6.68166 -8.3247 0.0 0
M V30 20 C 8.41196 -8.32139 0.0 0
M V30 21 N 7.54763 -7.82318 0.0 0
M V30 22 C 8.41359 -9.32233 0.0 0
M V30 23 C 6.6833 -9.32964 0.0 0
M V30 24 C 7.55308 -9.82324 0.0 0
M V30 25 C 9.35985 -3.77507 0.0 0
M V30 26 C 11.0902 -3.77459 0.0 0
M V30 27 C 10.2266 -3.27497 0.0 0
M V30 28 C 11.0902 -4.77553 0.0 0
M V30 29 N 9.35985 -4.78002 0.0 0
M V30 30 C 10.2288 -5.27503 0.0 0
M V30 31 C 10.2327 -6.27503 0.0 0
M V30 32 C 11.105 -7.76933 0.0 0
M V30 33 C 11.1014 -6.7717 0.0 0
M V30 34 C 10.2405 -8.27372 0.0 0
M V30 35 N 9.36465 -6.78143 0.0 0
M V30 36 C 9.37498 -7.78146 0.0 0
M V30 37 Ir 7.55 -5.775 0.0 0 CHG=3
M V30 38 P 13.517 -3.7 0.0 0 CHG=-1
M V30 39 F 14.383 -3.2 0.0 0
M V30 40 F 12.651 -3.2 0.0 0
M V30 41 F 13.517 -4.7 0.0 0
M V30 42 F 14.383 -4.2 0.0 0
M V30 43 F 13.517 -2.7 0.0 0
M V30 44 F 12.651 -4.2 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 2 27 25
M V30 28 2 28 26
M V30 29 1 25 29
M V30 30 1 26 27
M V30 31 2 29 30
M V30 32 1 30 28
M V30 33 1 30 31
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 10 11 37
M V30 41 10 37 29
M V30 42 10 35 37
M V30 43 10 37 21
M V30 44 10 14 37
M V30 45 10 37 4
M V30 46 1 38 39
M V30 47 1 38 40
M V30 48 1 38 41
M V30 49 1 38 42
M V30 50 1 38 43
M V30 51 1 38 44
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Investigations ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 2}}

{{#experimentlist:|form=Cyclic_Voltammetry_experiments|name=Table 3 - CV}}

==== Sacrificial electron donor ====
In this study, the experiments were done with the sacrificial electron donor TEOA ([[Molecule:100507|100507]]).

==== Additives ====
No additives were used in the described experiments.

Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light

2024-01-09T14:55:16Z

Helena:

{{BaseTemplate}}
[[Category:Photocatalytic CO2 conversion to HCOOH]]
{{#doiinfobox: 10.1002/cctc.201500494 }}{{MissingInvestigation}}{{FaultyMolecule}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to formic acid was shown using a system containing an iridium-based photosensitizer, ruthenium photocatalyst and triethanolamine as the electron donor. Turnover numbers up to 526 and a selectivity of 80% towards formic acid were observed if the reaction was performed with [Ir(ppy)2(bpy)]PF6 ({{#moleculelink:|link=RJJGJTKSOSSNNL-UHFFFAOYSA-N|image=false|width=300|height=200}}) as the photosensitizer and [Ru(bpy)2(Cl)(CO)]PF6 as the catalyst. The experiments were conducted under irradiation with Hg-lamp equipped with a ''λ''=400–700 nm filter.

==== Advances and special progress ====
The employed photocatalytic system showed activity for the photoreduction of Na2CO3 to formic acid as well. A TON of 53 was observed after 5h reaction time.

==== Additional remarks ====
Experiments using different electron and proton donors such as triethylamine (TEA) and 1-benzyl-1,4-dihydronicotinamide (BNAH) were unsuccessful as the observed activities were lower than those obtained in the presence of TEOA.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to formic under visible-light catalysis using ruthenium complexes as catalysts, the iridium complex [Ir(ppy)2(bpy)]PF6 ({{#moleculelink:|link=RJJGJTKSOSSNNL-UHFFFAOYSA-N|image=false|width=300|height=200}}) as a photosensitizer and triethanolamine as the electron donor. The catalytic system performs best (referring to the TON of HCOOH production) with [Ru(bpy)2(Cl)(CO)]PF6 as photocatalyst.

==== Catalysts ====
<chemform smiles="C1C=CN2~[Ru+2](~[Cl-])(~[Cl-])3(~N4C=CC=CC=4C4N~3=CC=CC=4)~N3C=CC=CC=3C=2C=1" inchikey="MGAJEYXQYJBLQL-UHFFFAOYSA-L" inchi="1S/2C10H8N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*1-8H;2*1H;/q;;;;+2/p-2" float="none" width="200" height="200" r1="Cl,Cl,H" r2="Cl,CO,CO">
-INDIGO-01092415422D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 27 32 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.42164 -3.4051 0.0 0
M V30 2 C 6.16573 -3.41315 0.0 0
M V30 3 C 5.23126 -2.93902 0.0 0
M V30 4 N 6.24607 -4.34967 0.0 0
M V30 5 C 4.43988 -4.2752 0.0 0
M V30 6 C 5.33647 -4.80741 0.0 0
M V30 7 C 7.1536 -2.01998 0.0 0
M V30 8 C 8.69562 -2.15033 0.0 0
M V30 9 C 7.97052 -1.65293 0.0 0
M V30 10 C 8.6606 -3.11885 0.0 0
M V30 11 C 7.04069 -2.96795 0.0 0
M V30 12 N 7.81868 -3.57293 0.0 0
M V30 13 C 5.6923 -5.52361 0.0 0
M V30 14 C 6.93663 -6.52444 0.0 0
M V30 15 N 6.60503 -5.6549 0.0 0
M V30 16 C 6.34029 -7.29343 0.0 0
M V30 17 C 5.12026 -6.37657 0.0 0
M V30 18 C 5.48652 -7.18714 0.0 0
M V30 19 C 7.64521 -6.74796 0.0 0
M V30 20 C 9.23795 -6.29939 0.0 0
M V30 21 N 8.25086 -6.00768 0.0 0
M V30 22 C 9.43514 -7.33957 0.0 0
M V30 23 C 7.96229 -7.64558 0.0 0
M V30 24 C 8.77162 -7.93243 0.0 0
M V30 25 Cl 8.45093 -4.23617 0.0 0 CHG=-1
M V30 26 Cl 8.54195 -5.09895 0.0 0 CHG=-1
M V30 27 Ru 7.51723 -4.8062 0.0 0 CHG=2
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 2 21 19
M V30 20 2 22 20
M V30 21 1 19 23
M V30 22 1 20 21
M V30 23 2 23 24
M V30 24 1 24 22
M V30 25 1 2 11
M V30 26 1 14 19
M V30 27 8 4 27
M V30 28 8 12 27
M V30 29 8 15 27
M V30 30 8 21 27
M V30 31 8 27 26
M V30 32 8 27 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru]3(OC(=O)O3)3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1" inchi="1S/2C10H8N2.CH2O3.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3)4;/h2*1-8H;(H2,2,3,4);/q;;;+2/p-2" inchikey="BEIFWAYVOBNDMH-UHFFFAOYSA-L" height="200px" width="300px" float="none">
-INDIGO-07282310362D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 29 35 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.20985 -3.82507 0.0 0
M V30 2 C 5.94015 -3.82459 0.0 0
M V30 3 C 5.07664 -3.32497 0.0 0
M V30 4 N 5.94015 -4.82553 0.0 0
M V30 5 C 4.20985 -4.83002 0.0 0
M V30 6 C 5.07882 -5.32503 0.0 0
M V30 7 C 6.80641 -3.32499 0.0 0
M V30 8 C 7.67083 -1.82609 0.0 0
M V30 9 C 6.80649 -2.32428 0.0 0
M V30 10 C 8.53778 -2.32638 0.0 0
M V30 11 N 7.67682 -3.82729 0.0 0
M V30 12 C 8.5399 -3.32207 0.0 0
M V30 13 C 4.23485 -6.80007 0.0 0
M V30 14 N 5.96515 -6.79959 0.0 0
M V30 15 C 5.10164 -6.29997 0.0 0
M V30 16 C 5.96515 -7.80053 0.0 0
M V30 17 C 4.23485 -7.80502 0.0 0
M V30 18 C 5.10382 -8.30003 0.0 0
M V30 19 C 6.83166 -8.2997 0.0 0
M V30 20 C 8.56196 -8.29639 0.0 0
M V30 21 N 7.69763 -7.79818 0.0 0
M V30 22 C 8.56359 -9.29733 0.0 0
M V30 23 C 6.8333 -9.30464 0.0 0
M V30 24 C 7.70308 -9.79824 0.0 0
M V30 25 Ru 7.72682 -5.67729 0.0 0
M V30 26 O 9.20801 -4.93397 0.0 0
M V30 27 C 9.70801 -5.8 0.0 0
M V30 28 O 9.20801 -6.66603 0.0 0
M V30 29 O 10.708 -5.8 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 10 11 25
M V30 28 10 25 21
M V30 29 10 25 14
M V30 30 10 25 4
M V30 31 1 26 27
M V30 32 1 27 28
M V30 33 2 27 29
M V30 34 1 26 25
M V30 35 1 28 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="F[P-](F)(F)(F)(F)F.C1C=CN2[Ru+2]([*])([*])(N3=CC=CC=C3C=2C=1)1N2C=CC=CC=2C2C=CC=CN=21" inchikey="CPFZZAZNEQBLAC-UHFFFAOYSA-N" inchi="1S/2C10H8N2.CO.2F6P.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;2*1-7(2,3,4,5)6;;/h2*1-8H;;;;1H2;/q;;;2*-1;;+2" float="none" width="200" height="200">
-INDIGO-01092415522D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 34 38 0 0 0
M V30 BEGIN ATOM
M V30 1 F 8.767 -6.05 0.0 0
M V30 2 P 9.633 -5.55 0.0 0 CHG=-1
M V30 3 F 10.499 -6.05 0.0 0
M V30 4 F 9.633 -4.55 0.0 0
M V30 5 F 8.767 -5.05 0.0 0
M V30 6 F 10.499 -5.05 0.0 0
M V30 7 F 9.633 -6.55 0.0 0
M V30 8 C 3.00985 -3.67507 0.0 0
M V30 9 C 4.74015 -3.67459 0.0 0
M V30 10 C 3.87664 -3.17497 0.0 0
M V30 11 N 4.74015 -4.67553 0.0 0
M V30 12 C 3.00985 -4.68002 0.0 0
M V30 13 C 3.87882 -5.17503 0.0 0
M V30 14 C 5.60641 -3.17499 0.0 0
M V30 15 C 6.47083 -1.67609 0.0 0
M V30 16 C 5.60649 -2.17428 0.0 0
M V30 17 C 7.33778 -2.17638 0.0 0
M V30 18 N 6.47682 -3.67729 0.0 0
M V30 19 C 7.3399 -3.17207 0.0 0
M V30 20 C 3.03485 -6.65007 0.0 0
M V30 21 N 4.76515 -6.64959 0.0 0
M V30 22 C 3.90164 -6.14997 0.0 0
M V30 23 C 4.76515 -7.65053 0.0 0
M V30 24 C 3.03485 -7.65502 0.0 0
M V30 25 C 3.90382 -8.15003 0.0 0
M V30 26 C 5.63166 -8.1497 0.0 0
M V30 27 C 7.36196 -8.14639 0.0 0
M V30 28 N 6.49763 -7.64818 0.0 0
M V30 29 C 7.36359 -9.14733 0.0 0
M V30 30 C 5.6333 -9.15464 0.0 0
M V30 31 C 6.50308 -9.64824 0.0 0
M V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
M V30 33 R# 7.4971 -4.94171 0.0 0 RGROUPS=(1 1)
M V30 34 R# 7.4972 -6.22553 0.0 0 RGROUPS=(1 2)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 2 10 8
M V30 8 2 11 9
M V30 9 1 8 12
M V30 10 1 9 10
M V30 11 2 12 13
M V30 12 1 13 11
M V30 13 1 9 14
M V30 14 2 16 14
M V30 15 2 17 15
M V30 16 1 14 18
M V30 17 1 15 16
M V30 18 2 18 19
M V30 19 1 19 17
M V30 20 2 22 20
M V30 21 2 23 21
M V30 22 1 20 24
M V30 23 1 21 22
M V30 24 2 24 25
M V30 25 1 25 23
M V30 26 1 23 26
M V30 27 2 28 26
M V30 28 2 29 27
M V30 29 1 26 30
M V30 30 1 27 28
M V30 31 2 30 31
M V30 32 1 31 29
M V30 33 10 11 32
M V30 34 10 32 21
M V30 35 10 32 28
M V30 36 10 32 18
M V30 37 10 32 33
M V30 38 10 32 34
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru+2]([*])([*])3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F" inchikey="MVHJANUNBKMKDC-UHFFFAOYSA-N" inchi="1S/2C10H8N2.2C3H6O.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3(2)4;2*1-7(2,3,4,5)6;/h2*1-8H;2*1-2H3;;;/q;;;;2*-1;+2" float="none" width="200" height="200">
-INDIGO-01092415502D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 44 0 0 0
M V30 BEGIN ATOM
M V30 1 F 12.767 -3.05 0.0 0
M V30 2 P 13.633 -2.55 0.0 0 CHG=-1
M V30 3 F 14.499 -3.05 0.0 0
M V30 4 F 13.633 -1.55 0.0 0
M V30 5 F 12.767 -2.05 0.0 0
M V30 6 F 14.499 -2.05 0.0 0
M V30 7 F 13.633 -3.55 0.0 0
M V30 8 F 13.109 -6.375 0.0 0
M V30 9 P 13.975 -5.875 0.0 0 CHG=-1
M V30 10 F 14.841 -6.375 0.0 0
M V30 11 F 13.975 -4.875 0.0 0
M V30 12 F 13.109 -5.375 0.0 0
M V30 13 F 14.841 -5.375 0.0 0
M V30 14 F 13.975 -6.875 0.0 0
M V30 15 C 4.00985 -3.42507 0.0 0
M V30 16 C 5.74015 -3.42459 0.0 0
M V30 17 C 4.87664 -2.92497 0.0 0
M V30 18 N 5.74015 -4.42553 0.0 0
M V30 19 C 4.00985 -4.43002 0.0 0
M V30 20 C 4.87882 -4.92503 0.0 0
M V30 21 C 6.60641 -2.92499 0.0 0
M V30 22 C 7.47083 -1.42609 0.0 0
M V30 23 C 6.60649 -1.92428 0.0 0
M V30 24 C 8.33778 -1.92638 0.0 0
M V30 25 N 7.47682 -3.42729 0.0 0
M V30 26 C 8.3399 -2.92207 0.0 0
M V30 27 C 3.98485 -6.37507 0.0 0
M V30 28 N 5.71515 -6.37459 0.0 0
M V30 29 C 4.85164 -5.87497 0.0 0
M V30 30 C 5.71515 -7.37553 0.0 0
M V30 31 C 3.98485 -7.38002 0.0 0
M V30 32 C 4.85382 -7.87503 0.0 0
M V30 33 C 6.58166 -7.8747 0.0 0
M V30 34 C 8.31196 -7.87139 0.0 0
M V30 35 N 7.44763 -7.37318 0.0 0
M V30 36 C 8.31359 -8.87233 0.0 0
M V30 37 C 6.5833 -8.87964 0.0 0
M V30 38 C 7.45308 -9.37324 0.0 0
M V30 39 R# 8.87596 -6.15 0.0 0 RGROUPS=(1 2)
M V30 40 Ru 7.45618 -5.32553 0.0 0 CHG=2
M V30 41 R# 8.88398 -4.525 0.0 0 RGROUPS=(1 1)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 1 8 9
M V30 8 1 9 10
M V30 9 1 9 11
M V30 10 1 9 12
M V30 11 1 9 13
M V30 12 1 9 14
M V30 13 2 17 15
M V30 14 2 18 16
M V30 15 1 15 19
M V30 16 1 16 17
M V30 17 2 19 20
M V30 18 1 20 18
M V30 19 1 16 21
M V30 20 2 23 21
M V30 21 2 24 22
M V30 22 1 21 25
M V30 23 1 22 23
M V30 24 2 25 26
M V30 25 1 26 24
M V30 26 2 29 27
M V30 27 2 30 28
M V30 28 1 27 31
M V30 29 1 28 29
M V30 30 2 31 32
M V30 31 1 32 30
M V30 32 1 30 33
M V30 33 2 35 33
M V30 34 2 36 34
M V30 35 1 33 37
M V30 36 1 34 35
M V30 37 2 37 38
M V30 38 1 38 36
M V30 39 10 18 40
M V30 40 10 40 25
M V30 41 10 40 28
M V30 42 10 40 35
M V30 43 10 40 39
M V30 44 10 40 41
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Photosensitizer ====
<chemform smiles="C1C=C[C-]2[Ir+3]3([C-]4C=CC=CC=4C4C=CC=CN=43)3(N4=CC=CC=C4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.[P-](F)(F)(F)(F)(F)F" inchi="1S/2C11H8N.C10H8N2.F6P.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2*1-6,8-9H;1-8H;;/q2*-1;;-1;+3" inchikey="RJJGJTKSOSSNNL-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-08012317142D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.03485 -3.90007 0.0 0
M V30 2 C 5.76515 -3.89959 0.0 0
M V30 3 C 4.90164 -3.39997 0.0 0
M V30 4 C 5.76515 -4.90053 0.0 0 CHG=-1
M V30 5 C 4.03485 -4.90502 0.0 0
M V30 6 C 4.90382 -5.40003 0.0 0
M V30 7 C 6.63141 -3.39999 0.0 0
M V30 8 C 7.49583 -1.90109 0.0 0
M V30 9 C 6.63149 -2.39928 0.0 0
M V30 10 C 8.36278 -2.40138 0.0 0
M V30 11 N 7.50182 -3.90229 0.0 0
M V30 12 C 8.3649 -3.39706 0.0 0
M V30 13 C 4.08485 -6.82507 0.0 0
M V30 14 C 5.81515 -6.82459 0.0 0 CHG=-1
M V30 15 C 4.95164 -6.32497 0.0 0
M V30 16 C 5.81515 -7.82553 0.0 0
M V30 17 C 4.08485 -7.83002 0.0 0
M V30 18 C 4.95382 -8.32503 0.0 0
M V30 19 C 6.68166 -8.3247 0.0 0
M V30 20 C 8.41196 -8.32139 0.0 0
M V30 21 N 7.54763 -7.82318 0.0 0
M V30 22 C 8.41359 -9.32233 0.0 0
M V30 23 C 6.6833 -9.32964 0.0 0
M V30 24 C 7.55308 -9.82324 0.0 0
M V30 25 C 9.35985 -3.77507 0.0 0
M V30 26 C 11.0902 -3.77459 0.0 0
M V30 27 C 10.2266 -3.27497 0.0 0
M V30 28 C 11.0902 -4.77553 0.0 0
M V30 29 N 9.35985 -4.78002 0.0 0
M V30 30 C 10.2288 -5.27503 0.0 0
M V30 31 C 10.2327 -6.27503 0.0 0
M V30 32 C 11.105 -7.76933 0.0 0
M V30 33 C 11.1014 -6.7717 0.0 0
M V30 34 C 10.2405 -8.27372 0.0 0
M V30 35 N 9.36465 -6.78143 0.0 0
M V30 36 C 9.37498 -7.78146 0.0 0
M V30 37 Ir 7.55 -5.775 0.0 0 CHG=3
M V30 38 P 13.517 -3.7 0.0 0 CHG=-1
M V30 39 F 14.383 -3.2 0.0 0
M V30 40 F 12.651 -3.2 0.0 0
M V30 41 F 13.517 -4.7 0.0 0
M V30 42 F 14.383 -4.2 0.0 0
M V30 43 F 13.517 -2.7 0.0 0
M V30 44 F 12.651 -4.2 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 2 27 25
M V30 28 2 28 26
M V30 29 1 25 29
M V30 30 1 26 27
M V30 31 2 29 30
M V30 32 1 30 28
M V30 33 1 30 31
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 10 11 37
M V30 41 10 37 29
M V30 42 10 35 37
M V30 43 10 37 21
M V30 44 10 14 37
M V30 45 10 37 4
M V30 46 1 38 39
M V30 47 1 38 40
M V30 48 1 38 41
M V30 49 1 38 42
M V30 50 1 38 43
M V30 51 1 38 44
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Investigations ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 2}}

{{#experimentlist:|form=Cyclic_Voltammetry_experiments|name=Table 3 - CV}}

==== Sacrificial electron donor ====
In this study, the experiments were done with the sacrificial electron donor TEOA ([[Molecule:100507|100507]]).

==== Additives ====
No additives were used in the described experiments.

Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light

2024-01-09T14:39:45Z

Helena:

{{BaseTemplate}}
[[Category:Photocatalytic CO2 conversion to HCOOH]]
{{#doiinfobox: 10.1002/cctc.201500494 }}{{MissingInvestigation}}{{FaultyMolecule}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to formic acid was shown using a system containing an iridium-based photosensitizer, ruthenium photocatalyst and triethanolamine as the electron donor. Turnover numbers up to 526 and a selectivity of 80% towards formic acid were observed if the reaction was performed with [Ir(ppy)2(bpy)]PF6 {{#moleculelink:|link=RJJGJTKSOSSNNL-UHFFFAOYSA-N|image=false|width=300|height=200}} as the photosensitizer and [Ru(bpy)2(Cl)(CO)]PF6 as the catalyst. The experiments were conducted under irradiation with Hg-lamp equipped with a ''λ''=400–700 nm filter.

==== Advances and special progress ====
The employed photocatalytic system showed activity for the photoreduction of Na2CO3 to formic acid as well. A TON of 53 was observed after 5h reaction time.

==== Additional remarks ====
Experiments using different electron and proton donors such as triethylamine (TEA) and 1-benzyl-1,4-dihydronicotinamide (BNAH) were unsuccessful as the observed activities were lower than those obtained in the presence of TEOA.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to formic under visible-light catalysis using ruthenium complexes as catalysts, the iridium complex [Ir(ppy)2(bpy)]PF6 {{#moleculelink:|link=RJJGJTKSOSSNNL-UHFFFAOYSA-N|image=false|width=300|height=200}} as a photosensitizer and triethanolamine as the electron donor. The catalytic system performs best (referring to the TON of HCOOH production) with [Ru(bpy)2(Cl)(CO)]PF6 as photocatalyst.

==== Catalysts ====
<chemform smiles="C1C=CN2~[Ru](~[*])(~[*])3(~N4C=CC=CC=4C4N~3=CC=CC=4)~N3C=CC=CC=3C=2C=1" inchi="" inchikey="" height="200px" width="300px" float="none" r1="Cl,Cl,H" r2="Cl,CO,CO">
-INDIGO-12122214162D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 27 32 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.42164 -3.4051 0.0 0
M V30 2 C 6.16573 -3.41315 0.0 0
M V30 3 C 5.23126 -2.93902 0.0 0
M V30 4 N 6.24607 -4.34967 0.0 0
M V30 5 C 4.43988 -4.2752 0.0 0
M V30 6 C 5.33647 -4.80741 0.0 0
M V30 7 C 7.1536 -2.01998 0.0 0
M V30 8 C 8.69562 -2.15033 0.0 0
M V30 9 C 7.97052 -1.65293 0.0 0
M V30 10 C 8.6606 -3.11885 0.0 0
M V30 11 C 7.04069 -2.96795 0.0 0
M V30 12 N 7.81868 -3.57293 0.0 0
M V30 13 C 5.6923 -5.52361 0.0 0
M V30 14 C 6.93663 -6.52444 0.0 0
M V30 15 N 6.60503 -5.6549 0.0 0
M V30 16 C 6.34029 -7.29343 0.0 0
M V30 17 C 5.12026 -6.37657 0.0 0
M V30 18 C 5.48652 -7.18714 0.0 0
M V30 19 C 7.64521 -6.74796 0.0 0
M V30 20 C 9.23795 -6.29939 0.0 0
M V30 21 N 8.25086 -6.00768 0.0 0
M V30 22 C 9.43514 -7.33957 0.0 0
M V30 23 C 7.96229 -7.64558 0.0 0
M V30 24 C 8.77162 -7.93243 0.0 0
M V30 25 R# 8.45093 -4.23617 0.0 0 RGROUPS=(1 1)
M V30 26 R# 8.54195 -5.09895 0.0 0 RGROUPS=(1 2)
M V30 27 Ru 7.51723 -4.8062 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 2 21 19
M V30 20 2 22 20
M V30 21 1 19 23
M V30 22 1 20 21
M V30 23 2 23 24
M V30 24 1 24 22
M V30 25 1 2 11
M V30 26 1 14 19
M V30 27 8 4 27
M V30 28 8 12 27
M V30 29 8 15 27
M V30 30 8 21 27
M V30 31 8 27 26
M V30 32 8 27 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru]3(OC(=O)O3)3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1" inchi="1S/2C10H8N2.CH2O3.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3)4;/h2*1-8H;(H2,2,3,4);/q;;;+2/p-2" inchikey="BEIFWAYVOBNDMH-UHFFFAOYSA-L" height="200px" width="300px" float="none">
-INDIGO-07282310362D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 29 35 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.20985 -3.82507 0.0 0
M V30 2 C 5.94015 -3.82459 0.0 0
M V30 3 C 5.07664 -3.32497 0.0 0
M V30 4 N 5.94015 -4.82553 0.0 0
M V30 5 C 4.20985 -4.83002 0.0 0
M V30 6 C 5.07882 -5.32503 0.0 0
M V30 7 C 6.80641 -3.32499 0.0 0
M V30 8 C 7.67083 -1.82609 0.0 0
M V30 9 C 6.80649 -2.32428 0.0 0
M V30 10 C 8.53778 -2.32638 0.0 0
M V30 11 N 7.67682 -3.82729 0.0 0
M V30 12 C 8.5399 -3.32207 0.0 0
M V30 13 C 4.23485 -6.80007 0.0 0
M V30 14 N 5.96515 -6.79959 0.0 0
M V30 15 C 5.10164 -6.29997 0.0 0
M V30 16 C 5.96515 -7.80053 0.0 0
M V30 17 C 4.23485 -7.80502 0.0 0
M V30 18 C 5.10382 -8.30003 0.0 0
M V30 19 C 6.83166 -8.2997 0.0 0
M V30 20 C 8.56196 -8.29639 0.0 0
M V30 21 N 7.69763 -7.79818 0.0 0
M V30 22 C 8.56359 -9.29733 0.0 0
M V30 23 C 6.8333 -9.30464 0.0 0
M V30 24 C 7.70308 -9.79824 0.0 0
M V30 25 Ru 7.72682 -5.67729 0.0 0
M V30 26 O 9.20801 -4.93397 0.0 0
M V30 27 C 9.70801 -5.8 0.0 0
M V30 28 O 9.20801 -6.66603 0.0 0
M V30 29 O 10.708 -5.8 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 10 11 25
M V30 28 10 25 21
M V30 29 10 25 14
M V30 30 10 25 4
M V30 31 1 26 27
M V30 32 1 27 28
M V30 33 2 27 29
M V30 34 1 26 25
M V30 35 1 28 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru+2]([C-]#[O+])(O([H])[H])(N3=CC=CC=C3C=2C=1)1N2C=CC=CC=2C2C=CC=CN=21.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F" inchi="1S/2C10H8N2.CO.2F6P.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;2*1-7(2,3,4,5)6;;/h2*1-8H;;;;1H2;/q;;;2*-1;;+2" inchikey="CPFZZAZNEQBLAC-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-08012316222D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 47 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.00985 -3.67507 0.0 0
M V30 2 C 4.74015 -3.67459 0.0 0
M V30 3 C 3.87664 -3.17497 0.0 0
M V30 4 N 4.74015 -4.67553 0.0 0
M V30 5 C 3.00985 -4.68002 0.0 0
M V30 6 C 3.87882 -5.17503 0.0 0
M V30 7 C 5.60641 -3.17499 0.0 0
M V30 8 C 6.47083 -1.67609 0.0 0
M V30 9 C 5.60649 -2.17428 0.0 0
M V30 10 C 7.33778 -2.17638 0.0 0
M V30 11 N 6.47682 -3.67729 0.0 0
M V30 12 C 7.3399 -3.17207 0.0 0
M V30 13 C 3.03485 -6.65007 0.0 0
M V30 14 N 4.76515 -6.64959 0.0 0
M V30 15 C 3.90164 -6.14997 0.0 0
M V30 16 C 4.76515 -7.65053 0.0 0
M V30 17 C 3.03485 -7.65502 0.0 0
M V30 18 C 3.90382 -8.15003 0.0 0
M V30 19 C 5.63166 -8.1497 0.0 0
M V30 20 C 7.36196 -8.14639 0.0 0
M V30 21 N 6.49763 -7.64818 0.0 0
M V30 22 C 7.36359 -9.14733 0.0 0
M V30 23 C 5.6333 -9.15464 0.0 0
M V30 24 C 6.50308 -9.64824 0.0 0
M V30 25 Ru 6.48118 -5.65053 0.0 0 CHG=2
M V30 26 O 7.4971 -4.94171 0.0 0
M V30 27 C 7.4972 -6.22553 0.0 0 CHG=-1
M V30 28 O 8.36323 -6.72553 0.0 0 CHG=1
M V30 29 H 8.42404 -5.425 0.0 0
M V30 30 H 7.55801 -3.925 0.0 0
M V30 31 F 10.517 -3.85 0.0 0
M V30 32 P 11.383 -3.35 0.0 0 CHG=-1
M V30 33 F 12.249 -3.85 0.0 0
M V30 34 F 11.383 -2.35 0.0 0
M V30 35 F 10.517 -2.85 0.0 0
M V30 36 F 12.249 -2.85 0.0 0
M V30 37 F 11.383 -4.35 0.0 0
M V30 38 F 11.209 -6.95 0.0 0
M V30 39 P 12.075 -6.45 0.0 0 CHG=-1
M V30 40 F 12.941 -6.95 0.0 0
M V30 41 F 12.075 -5.45 0.0 0
M V30 42 F 11.209 -5.95 0.0 0
M V30 43 F 12.941 -5.95 0.0 0
M V30 44 F 12.075 -7.45 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 10 4 25
M V30 28 10 25 14
M V30 29 10 25 21
M V30 30 10 25 11
M V30 31 10 25 26
M V30 32 10 25 27
M V30 33 3 27 28
M V30 34 1 26 30
M V30 35 1 26 29
M V30 36 1 31 32
M V30 37 1 32 33
M V30 38 1 32 34
M V30 39 1 32 35
M V30 40 1 32 36
M V30 41 1 32 37
M V30 42 1 38 39
M V30 43 1 39 40
M V30 44 1 39 41
M V30 45 1 39 42
M V30 46 1 39 43
M V30 47 1 39 44
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2[Ru+2](O=C(C)C)(O=C(C)C)3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F" inchi="1S/2C10H8N2.2C3H6O.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3(2)4;2*1-7(2,3,4,5)6;/h2*1-8H;2*1-2H3;;;/q;;;;2*-1;+2" inchikey="MVHJANUNBKMKDC-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-08012316532D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 47 50 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.00985 -3.42507 0.0 0
M V30 2 C 5.74015 -3.42459 0.0 0
M V30 3 C 4.87664 -2.92497 0.0 0
M V30 4 N 5.74015 -4.42553 0.0 0
M V30 5 C 4.00985 -4.43002 0.0 0
M V30 6 C 4.87882 -4.92503 0.0 0
M V30 7 C 6.60641 -2.92499 0.0 0
M V30 8 C 7.47083 -1.42609 0.0 0
M V30 9 C 6.60649 -1.92428 0.0 0
M V30 10 C 8.33778 -1.92638 0.0 0
M V30 11 N 7.47682 -3.42729 0.0 0
M V30 12 C 8.3399 -2.92207 0.0 0
M V30 13 C 3.98485 -6.37507 0.0 0
M V30 14 N 5.71515 -6.37459 0.0 0
M V30 15 C 4.85164 -5.87497 0.0 0
M V30 16 C 5.71515 -7.37553 0.0 0
M V30 17 C 3.98485 -7.38002 0.0 0
M V30 18 C 4.85382 -7.87503 0.0 0
M V30 19 C 6.58166 -7.8747 0.0 0
M V30 20 C 8.31196 -7.87139 0.0 0
M V30 21 N 7.44763 -7.37318 0.0 0
M V30 22 C 8.31359 -8.87233 0.0 0
M V30 23 C 6.5833 -8.87964 0.0 0
M V30 24 C 7.45308 -9.37324 0.0 0
M V30 25 C 9.74199 -6.65 0.0 0
M V30 26 C 10.608 -6.15 0.0 0
M V30 27 O 8.87596 -6.15 0.0 0
M V30 28 C 9.74199 -7.65 0.0 0
M V30 29 C 9.75 -4.025 0.0 0
M V30 30 C 9.75 -3.025 0.0 0
M V30 31 O 8.88398 -4.525 0.0 0
M V30 32 C 10.616 -4.525 0.0 0
M V30 33 Ru 7.45618 -5.32553 0.0 0 CHG=2
M V30 34 F 12.767 -3.05 0.0 0
M V30 35 P 13.633 -2.55 0.0 0 CHG=-1
M V30 36 F 14.499 -3.05 0.0 0
M V30 37 F 13.633 -1.55 0.0 0
M V30 38 F 12.767 -2.05 0.0 0
M V30 39 F 14.499 -2.05 0.0 0
M V30 40 F 13.633 -3.55 0.0 0
M V30 41 F 13.109 -6.375 0.0 0
M V30 42 P 13.975 -5.875 0.0 0 CHG=-1
M V30 43 F 14.841 -6.375 0.0 0
M V30 44 F 13.975 -4.875 0.0 0
M V30 45 F 13.109 -5.375 0.0 0
M V30 46 F 14.841 -5.375 0.0 0
M V30 47 F 13.975 -6.875 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 1 25 26
M V30 28 2 25 27
M V30 29 1 25 28
M V30 30 1 29 30
M V30 31 2 29 31
M V30 32 1 29 32
M V30 33 10 4 33
M V30 34 10 33 11
M V30 35 10 33 14
M V30 36 10 33 21
M V30 37 10 33 27
M V30 38 10 33 31
M V30 39 1 34 35
M V30 40 1 35 36
M V30 41 1 35 37
M V30 42 1 35 38
M V30 43 1 35 39
M V30 44 1 35 40
M V30 45 1 41 42
M V30 46 1 42 43
M V30 47 1 42 44
M V30 48 1 42 45
M V30 49 1 42 46
M V30 50 1 42 47
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Photosensitizer ====
<chemform smiles="C1C=C[C-]2[Ir+3]3([C-]4C=CC=CC=4C4C=CC=CN=43)3(N4=CC=CC=C4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.[P-](F)(F)(F)(F)(F)F" inchi="1S/2C11H8N.C10H8N2.F6P.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2*1-6,8-9H;1-8H;;/q2*-1;;-1;+3" inchikey="RJJGJTKSOSSNNL-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-08012317142D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.03485 -3.90007 0.0 0
M V30 2 C 5.76515 -3.89959 0.0 0
M V30 3 C 4.90164 -3.39997 0.0 0
M V30 4 C 5.76515 -4.90053 0.0 0 CHG=-1
M V30 5 C 4.03485 -4.90502 0.0 0
M V30 6 C 4.90382 -5.40003 0.0 0
M V30 7 C 6.63141 -3.39999 0.0 0
M V30 8 C 7.49583 -1.90109 0.0 0
M V30 9 C 6.63149 -2.39928 0.0 0
M V30 10 C 8.36278 -2.40138 0.0 0
M V30 11 N 7.50182 -3.90229 0.0 0
M V30 12 C 8.3649 -3.39706 0.0 0
M V30 13 C 4.08485 -6.82507 0.0 0
M V30 14 C 5.81515 -6.82459 0.0 0 CHG=-1
M V30 15 C 4.95164 -6.32497 0.0 0
M V30 16 C 5.81515 -7.82553 0.0 0
M V30 17 C 4.08485 -7.83002 0.0 0
M V30 18 C 4.95382 -8.32503 0.0 0
M V30 19 C 6.68166 -8.3247 0.0 0
M V30 20 C 8.41196 -8.32139 0.0 0
M V30 21 N 7.54763 -7.82318 0.0 0
M V30 22 C 8.41359 -9.32233 0.0 0
M V30 23 C 6.6833 -9.32964 0.0 0
M V30 24 C 7.55308 -9.82324 0.0 0
M V30 25 C 9.35985 -3.77507 0.0 0
M V30 26 C 11.0902 -3.77459 0.0 0
M V30 27 C 10.2266 -3.27497 0.0 0
M V30 28 C 11.0902 -4.77553 0.0 0
M V30 29 N 9.35985 -4.78002 0.0 0
M V30 30 C 10.2288 -5.27503 0.0 0
M V30 31 C 10.2327 -6.27503 0.0 0
M V30 32 C 11.105 -7.76933 0.0 0
M V30 33 C 11.1014 -6.7717 0.0 0
M V30 34 C 10.2405 -8.27372 0.0 0
M V30 35 N 9.36465 -6.78143 0.0 0
M V30 36 C 9.37498 -7.78146 0.0 0
M V30 37 Ir 7.55 -5.775 0.0 0 CHG=3
M V30 38 P 13.517 -3.7 0.0 0 CHG=-1
M V30 39 F 14.383 -3.2 0.0 0
M V30 40 F 12.651 -3.2 0.0 0
M V30 41 F 13.517 -4.7 0.0 0
M V30 42 F 14.383 -4.2 0.0 0
M V30 43 F 13.517 -2.7 0.0 0
M V30 44 F 12.651 -4.2 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 16 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 2 27 25
M V30 28 2 28 26
M V30 29 1 25 29
M V30 30 1 26 27
M V30 31 2 29 30
M V30 32 1 30 28
M V30 33 1 30 31
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 10 11 37
M V30 41 10 37 29
M V30 42 10 35 37
M V30 43 10 37 21
M V30 44 10 14 37
M V30 45 10 37 4
M V30 46 1 38 39
M V30 47 1 38 40
M V30 48 1 38 41
M V30 49 1 38 42
M V30 50 1 38 43
M V30 51 1 38 44
M V30 END BOND
M V30 END CTAB
M END
</chemform>
=== Investigations ===
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 2}}

{{#experimentlist:|form=Cyclic_Voltammetry_experiments|name=Table 3 - CV}}

==== Sacrificial electron donor ====
In this study, the experiments were done with the sacrificial electron donor TEOA ([[Molecule:100507|100507]]).

==== Additives ====
No additives were used in the described experiments.

Photocatalytic CO2 Reduction under Visible-Light Irradiation by Ruthenium CNC Pincer Complexes

2024-01-09T13:35:06Z

Helena:

{{BaseTemplate}}
{{#doiinfobox: 10.1002/chem.201905840}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to HCOOH was shown in a catalytic system using ruthenium complexes as the catalyst and the sensitizer in combination with a sacrificial reagent. A TON of 5634 for COOH was reached after 24 h. The experiments were performed using a 450 W high-pressure Hg lamp combined with a K2CrO4 solution filter under CO2 atmosphere (''λ''≥500 nm).

==== Advances and special progress ====
A TON of 5634 for COOH with selectivity of 72% was achieved by the photocatalytic reduction under visible light using a ruthenium complex containing a CNC and bpy ligand.

==== Additional remarks ====
Four different complexes containing ''tert''-buthyl and methyl substituents on the CNC ligand and CH3CN and CO ligands on the ruthenium were used as catalysts. Comparison of the TONs of HCOOH after 24 h showed that the bulkier substituent (''t''Bu) prevents access of CO2 to the metal center, whereas the smaller substituent (Me) allows access of protons as well as CO2 to the metal center, leading to a higher TON but lower selectivity of HCOOH. The TON was higher for CO-ligands in comparison to the CH3CN ligands on ruthenium due to the presence of the absorbtion band (''λ''≥500 nm) in [Ru-NCMe], which reduces the performance of the catalyst.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to HCOOH under visible-light catalysis using ruthenium complexes as a catalyst. The catalytic system performs best (referring to the TON of HCOOH production) with the catalyst containing methyl substituents on the CNC ligand and CO ligands on the ruthenium.

==== Catalyst ====
<chemform smiles="C1C=CC2C3=CC=CC=N3[Ru+2]([*])(N=2C=1)12C3N(C=CN3[*])C3N1=C(N1C=CN([*])C12)C=CC=3.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F" inchi="" inchikey="" height="200px" width="300px" float="none" r1="t-Bu,Me,t-Bu,Me" r2="MECN,MECN,CO,CO">
-INDIGO-01242314502D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 46 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.97548 -8.5752 0.0 0
M V30 2 N 6.47372 -7.70963 0.0 0
M V30 3 C 5.47609 -7.7087 0.0 0
M V30 4 C 6.9742 -8.57647 0.0 0
M V30 5 C 5.47795 -9.44551 0.0 0
M V30 6 C 6.47801 -9.43972 0.0 0
M V30 7 N 8.47628 -7.75914 0.0 0
M V30 8 C 9.975 -8.62387 0.0 0
M V30 9 C 9.47699 -7.75943 0.0 0
M V30 10 C 9.47453 -9.49071 0.0 0
M V30 11 C 7.9738 -8.62945 0.0 0
M V30 12 C 8.47885 -9.49263 0.0 0
M V30 13 C 6.65985 -2.75007 0.0 0
M V30 14 C 8.39015 -2.74959 0.0 0
M V30 15 C 7.52664 -2.24997 0.0 0
M V30 16 C 8.39015 -3.75053 0.0 0
M V30 17 C 6.65985 -3.75502 0.0 0
M V30 18 N 7.52882 -4.25003 0.0 0
M V30 19 N 5.79528 -4.25753 0.0 0
M V30 20 N 9.25666 -4.2497 0.0 0
M V30 21 C 5.69073 -5.25203 0.0 0
M V30 22 N 4.71256 -5.45997 0.0 0
M V30 23 C 4.21257 -4.59396 0.0 0
M V30 24 C 4.88174 -3.85082 0.0 0
M V30 25 C 10.1702 -3.84299 0.0 0
M V30 26 C 10.8394 -4.58613 0.0 0
M V30 27 N 10.3394 -5.45215 0.0 0
M V30 28 C 9.36121 -5.2442 0.0 0
M V30 29 R# 4.30584 -6.37353 0.0 0 RGROUPS=(1 1)
M V30 30 R# 10.7461 -6.3657 0.0 0 RGROUPS=(1 1)
M V30 31 Ru 7.45 -6.2 0.0 0 CHG=2
M V30 32 R# 8.41593 -6.45882 0.0 0 RGROUPS=(1 2)
M V30 33 P 12.0 -2.525 0.0 0 CHG=-1
M V30 34 F 12.0 -1.525 0.0 0
M V30 35 F 11.2 -2.00897 0.0 0
M V30 36 F 11.2 -3.1 0.0 0
M V30 37 F 12.0 -3.525 0.0 0
M V30 38 F 12.866 -2.025 0.0 0
M V30 39 F 12.866 -3.025 0.0 0
M V30 40 P 12.8166 -5.075 0.0 0 CHG=-1
M V30 41 F 12.8166 -4.06442 0.0 0
M V30 42 F 12.0082 -4.55352 0.0 0
M V30 43 F 12.0082 -5.65608 0.0 0
M V30 44 F 12.8166 -6.08558 0.0 0
M V30 45 F 13.6918 -4.56971 0.0 0
M V30 46 F 13.6918 -5.58029 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 1 17 19
M V30 20 1 16 20
M V30 21 1 19 21
M V30 22 1 21 22
M V30 23 1 22 23
M V30 24 2 23 24
M V30 25 1 24 19
M V30 26 1 20 25
M V30 27 2 25 26
M V30 28 1 26 27
M V30 29 1 27 28
M V30 30 1 28 20
M V30 31 1 22 29
M V30 32 1 27 30
M V30 33 1 4 11
M V30 34 10 21 31
M V30 35 10 18 31
M V30 36 10 28 31
M V30 37 10 7 31
M V30 38 10 2 31
M V30 39 10 31 32
M V30 40 1 33 34
M V30 41 1 33 35
M V30 42 1 33 36
M V30 43 1 33 37
M V30 44 1 33 38
M V30 45 1 33 39
M V30 46 1 40 41
M V30 47 1 40 42
M V30 48 1 40 43
M V30 49 1 40 44
M V30 50 1 40 45
M V30 51 1 40 46
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Photosensitizer ====
<chemform smiles="C1C(C)=CC2C3C=C(C)C=CN=3[Ru+2](N=2C=1)1(N2C=CC(C)=CC=2C2N1=CC=C(C)C=2)1N2C=CC(C)=CC=2C2C=C(C)C=CN=21.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F" inchi="1S/3C12H12N2.2F6P.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2" inchikey="YTWDDICTMKIOIQ-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-01242314542D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 57 63 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.20261 -6.43147 0.0 0
M V30 2 N 6.67643 -6.05043 0.0 0
M V30 3 C 5.87291 -5.87549 0.0 0
M V30 4 C 6.78694 -7.05328 0.0 0
M V30 5 C 5.2404 -7.22115 0.0 0
M V30 6 C 5.98309 -7.60282 0.0 0
M V30 7 C 7.70282 -7.35559 0.0 0
M V30 8 C 9.29615 -7.18235 0.0 0
M V30 9 N 8.42305 -6.64845 0.0 0
M V30 10 C 9.28111 -8.12018 0.0 0
M V30 11 C 7.87536 -8.21489 0.0 0
M V30 12 C 8.613 -8.53826 0.0 0
M V30 13 C 4.76852 -3.07893 0.0 0
M V30 14 C 6.1552 -3.09208 0.0 0
M V30 15 C 5.39301 -2.69652 0.0 0
M V30 16 N 6.28833 -4.0841 0.0 0
M V30 17 C 4.75062 -3.81653 0.0 0
M V30 18 C 5.45111 -4.35625 0.0 0
M V30 19 C 6.71792 -1.76266 0.0 0
M V30 20 C 8.0038 -1.71502 0.0 0
M V30 21 C 7.3596 -1.36579 0.0 0
M V30 22 C 8.15558 -2.55951 0.0 0
M V30 23 C 6.73727 -2.66822 0.0 0
M V30 24 N 7.6175 -3.17585 0.0 0
M V30 25 C 9.76957 -2.59584 0.0 0
M V30 26 C 10.7134 -3.56387 0.0 0
M V30 27 C 10.5253 -2.81397 0.0 0
M V30 28 C 10.1225 -4.18653 0.0 0
M V30 29 C 9.05039 -3.1317 0.0 0
M V30 30 N 9.09496 -3.95102 0.0 0
M V30 31 N 9.69528 -5.52784 0.0 0
M V30 32 C 11.2573 -4.97572 0.0 0
M V30 33 C 10.3329 -4.86448 0.0 0
M V30 34 C 11.6274 -5.64152 0.0 0
M V30 35 C 10.2678 -6.38423 0.0 0
M V30 36 C 11.234 -6.32539 0.0 0
M V30 37 C 8.7212 -9.61664 0.0 0
M V30 38 C 4.31846 -7.83596 0.0 0
M V30 39 C 12.7138 -5.68937 0.0 0
M V30 40 C 11.3393 -2.06309 0.0 0
M V30 41 C 7.30929 -0.254007 0.0 0
M V30 42 C 3.81216 -2.51491 0.0 0
M V30 43 Ru 7.93674 -4.94393 0.0 0 CHG=2
M V30 44 P 13.175 -0.375 0.0 0 CHG=-1
M V30 45 F 13.175 -1.375 0.0 0
M V30 46 F 13.175 0.625 0.0 0
M V30 47 F 12.309 0.125 0.0 0
M V30 48 F 14.041 -0.875 0.0 0
M V30 49 F 14.041 0.125 0.0 0
M V30 50 F 12.309 -0.875 0.0 0
M V30 51 P 13.8 -2.85 0.0 0 CHG=-1
M V30 52 F 13.8 -3.85 0.0 0
M V30 53 F 13.8 -1.85 0.0 0
M V30 54 F 12.934 -2.35 0.0 0
M V30 55 F 14.666 -3.35 0.0 0
M V30 56 F 14.666 -2.35 0.0 0
M V30 57 F 12.934 -3.35 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 2 21 19
M V30 20 2 22 20
M V30 21 1 19 23
M V30 22 1 20 21
M V30 23 2 23 24
M V30 24 1 24 22
M V30 25 2 27 25
M V30 26 2 28 26
M V30 27 1 25 29
M V30 28 1 26 27
M V30 29 2 29 30
M V30 30 1 30 28
M V30 31 2 33 31
M V30 32 2 34 32
M V30 33 1 31 35
M V30 34 1 32 33
M V30 35 2 35 36
M V30 36 1 36 34
M V30 37 1 14 23
M V30 38 1 28 33
M V30 39 1 7 4
M V30 40 1 12 37
M V30 41 1 5 38
M V30 42 1 34 39
M V30 43 1 27 40
M V30 44 1 21 41
M V30 45 1 13 42
M V30 46 10 16 43
M V30 47 10 24 43
M V30 48 10 30 43
M V30 49 10 31 43
M V30 50 10 9 43
M V30 51 10 2 43
M V30 52 1 44 45
M V30 53 1 44 46
M V30 54 1 44 47
M V30 55 1 44 48
M V30 56 1 44 49
M V30 57 1 44 50
M V30 58 1 51 52
M V30 59 1 51 53
M V30 60 1 51 54
M V30 61 1 51 55
M V30 62 1 51 56
M V30 63 1 51 57
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Investigations====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

==== Sacrificial electron donor ====
In this study, the experiments were done with the sacrificial electron donor BI(OH)H {{#moleculelink:|link=NNENGKYNKIWEEY-UHFFFAOYSA-N|image=false|width=300|height=200}}.

==== Additives ====
No additives were used in the described experiments.
[[Category:Photocatalytic CO2 conversion to HCOOH]]

Photocatalytic CO2 Reduction under Visible-Light Irradiation by Ruthenium CNC Pincer Complexes

2024-01-09T13:31:12Z

Helena:

{{BaseTemplate}}
{{#doiinfobox: 10.1002/chem.201905840}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to HCOOH was shown in a catalytic system using ruthenium complexes as the catalyst and the sensitizer in combination with a sacrificial reagent. A TON of 5634 for COOH was reached after 24 h. The experiments were performed using a 450 W high-pressure Hg lamp combined with a K2CrO4 solution filter under CO2 atmosphere (''λ''≥500 nm).

==== Advances and special progress ====
A TON of 5634 for COOH with selectivity of 72% was achieved by the photocatalytic reduction under visible light using a ruthenium complex containing a CNC and bpy ligand.

==== Additional remarks ====
Four different complexes containing ''tert''-buthyl and methyl substituents on the CNC ligand and CH3CN and CO ligands on the ruthenium were used as catalysts. Comparison of the TONs of HCOOH after 24 h showed that the bulkier substituent (''t''Bu) prevents access of CO2 to the metal center, whereas the smaller substituent (Me) allows access of protons as well as CO2 to the metal center, leading to a higher TON but lower selectivity of HCOOH. The TON was higher for CO-ligands in comparison to the CH3CN ligands on ruthenium due to the presence of the absorbtion band (''λ''≥500 nm) in [Ru-NCMe], which reduces the performance of the catalyst.

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to HCOOH under visible-light catalysis using ruthenium complexes as a catalyst. The catalytic system performs best (referring to the TON of HCOOH production) with the catalyst containing methyl substituents on the CNC ligand and CO ligands on the ruthenium.

==== Catalyst ====
<chemform smiles="C1C=CC2C3=CC=CC=N3[Ru+2]([*])(N=2C=1)12C3N(C=CN3[*])C3N1=C(N1C=CN([*])C12)C=CC=3.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F" inchi="" inchikey="" height="200px" width="300px" float="none" r1="t-Bu,Me,t-Bu,Me" r2="MECN,MECN,CO,CO">
-INDIGO-01242314502D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 46 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.97548 -8.5752 0.0 0
M V30 2 N 6.47372 -7.70963 0.0 0
M V30 3 C 5.47609 -7.7087 0.0 0
M V30 4 C 6.9742 -8.57647 0.0 0
M V30 5 C 5.47795 -9.44551 0.0 0
M V30 6 C 6.47801 -9.43972 0.0 0
M V30 7 N 8.47628 -7.75914 0.0 0
M V30 8 C 9.975 -8.62387 0.0 0
M V30 9 C 9.47699 -7.75943 0.0 0
M V30 10 C 9.47453 -9.49071 0.0 0
M V30 11 C 7.9738 -8.62945 0.0 0
M V30 12 C 8.47885 -9.49263 0.0 0
M V30 13 C 6.65985 -2.75007 0.0 0
M V30 14 C 8.39015 -2.74959 0.0 0
M V30 15 C 7.52664 -2.24997 0.0 0
M V30 16 C 8.39015 -3.75053 0.0 0
M V30 17 C 6.65985 -3.75502 0.0 0
M V30 18 N 7.52882 -4.25003 0.0 0
M V30 19 N 5.79528 -4.25753 0.0 0
M V30 20 N 9.25666 -4.2497 0.0 0
M V30 21 C 5.69073 -5.25203 0.0 0
M V30 22 N 4.71256 -5.45997 0.0 0
M V30 23 C 4.21257 -4.59396 0.0 0
M V30 24 C 4.88174 -3.85082 0.0 0
M V30 25 C 10.1702 -3.84299 0.0 0
M V30 26 C 10.8394 -4.58613 0.0 0
M V30 27 N 10.3394 -5.45215 0.0 0
M V30 28 C 9.36121 -5.2442 0.0 0
M V30 29 R# 4.30584 -6.37353 0.0 0 RGROUPS=(1 1)
M V30 30 R# 10.7461 -6.3657 0.0 0 RGROUPS=(1 1)
M V30 31 Ru 7.45 -6.2 0.0 0 CHG=2
M V30 32 R# 8.41593 -6.45882 0.0 0 RGROUPS=(1 2)
M V30 33 P 12.0 -2.525 0.0 0 CHG=-1
M V30 34 F 12.0 -1.525 0.0 0
M V30 35 F 11.2 -2.00897 0.0 0
M V30 36 F 11.2 -3.1 0.0 0
M V30 37 F 12.0 -3.525 0.0 0
M V30 38 F 12.866 -2.025 0.0 0
M V30 39 F 12.866 -3.025 0.0 0
M V30 40 P 12.8166 -5.075 0.0 0 CHG=-1
M V30 41 F 12.8166 -4.06442 0.0 0
M V30 42 F 12.0082 -4.55352 0.0 0
M V30 43 F 12.0082 -5.65608 0.0 0
M V30 44 F 12.8166 -6.08558 0.0 0
M V30 45 F 13.6918 -4.56971 0.0 0
M V30 46 F 13.6918 -5.58029 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 1 17 19
M V30 20 1 16 20
M V30 21 1 19 21
M V30 22 1 21 22
M V30 23 1 22 23
M V30 24 2 23 24
M V30 25 1 24 19
M V30 26 1 20 25
M V30 27 2 25 26
M V30 28 1 26 27
M V30 29 1 27 28
M V30 30 1 28 20
M V30 31 1 22 29
M V30 32 1 27 30
M V30 33 1 4 11
M V30 34 10 21 31
M V30 35 10 18 31
M V30 36 10 28 31
M V30 37 10 7 31
M V30 38 10 2 31
M V30 39 10 31 32
M V30 40 1 33 34
M V30 41 1 33 35
M V30 42 1 33 36
M V30 43 1 33 37
M V30 44 1 33 38
M V30 45 1 33 39
M V30 46 1 40 41
M V30 47 1 40 42
M V30 48 1 40 43
M V30 49 1 40 44
M V30 50 1 40 45
M V30 51 1 40 46
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Photosensitizer ====
<chemform smiles="C1C(C)=CC2C3C=C(C)C=CN=3[Ru+2](N=2C=1)1(N2C=CC(C)=CC=2C2N1=CC=C(C)C=2)1N2C=CC(C)=CC=2C2C=C(C)C=CN=21.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F" inchi="1S/3C12H12N2.2F6P.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2" inchikey="YTWDDICTMKIOIQ-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-01242314542D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 57 63 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.20261 -6.43147 0.0 0
M V30 2 N 6.67643 -6.05043 0.0 0
M V30 3 C 5.87291 -5.87549 0.0 0
M V30 4 C 6.78694 -7.05328 0.0 0
M V30 5 C 5.2404 -7.22115 0.0 0
M V30 6 C 5.98309 -7.60282 0.0 0
M V30 7 C 7.70282 -7.35559 0.0 0
M V30 8 C 9.29615 -7.18235 0.0 0
M V30 9 N 8.42305 -6.64845 0.0 0
M V30 10 C 9.28111 -8.12018 0.0 0
M V30 11 C 7.87536 -8.21489 0.0 0
M V30 12 C 8.613 -8.53826 0.0 0
M V30 13 C 4.76852 -3.07893 0.0 0
M V30 14 C 6.1552 -3.09208 0.0 0
M V30 15 C 5.39301 -2.69652 0.0 0
M V30 16 N 6.28833 -4.0841 0.0 0
M V30 17 C 4.75062 -3.81653 0.0 0
M V30 18 C 5.45111 -4.35625 0.0 0
M V30 19 C 6.71792 -1.76266 0.0 0
M V30 20 C 8.0038 -1.71502 0.0 0
M V30 21 C 7.3596 -1.36579 0.0 0
M V30 22 C 8.15558 -2.55951 0.0 0
M V30 23 C 6.73727 -2.66822 0.0 0
M V30 24 N 7.6175 -3.17585 0.0 0
M V30 25 C 9.76957 -2.59584 0.0 0
M V30 26 C 10.7134 -3.56387 0.0 0
M V30 27 C 10.5253 -2.81397 0.0 0
M V30 28 C 10.1225 -4.18653 0.0 0
M V30 29 C 9.05039 -3.1317 0.0 0
M V30 30 N 9.09496 -3.95102 0.0 0
M V30 31 N 9.69528 -5.52784 0.0 0
M V30 32 C 11.2573 -4.97572 0.0 0
M V30 33 C 10.3329 -4.86448 0.0 0
M V30 34 C 11.6274 -5.64152 0.0 0
M V30 35 C 10.2678 -6.38423 0.0 0
M V30 36 C 11.234 -6.32539 0.0 0
M V30 37 C 8.7212 -9.61664 0.0 0
M V30 38 C 4.31846 -7.83596 0.0 0
M V30 39 C 12.7138 -5.68937 0.0 0
M V30 40 C 11.3393 -2.06309 0.0 0
M V30 41 C 7.30929 -0.254007 0.0 0
M V30 42 C 3.81216 -2.51491 0.0 0
M V30 43 Ru 7.93674 -4.94393 0.0 0 CHG=2
M V30 44 P 13.175 -0.375 0.0 0 CHG=-1
M V30 45 F 13.175 -1.375 0.0 0
M V30 46 F 13.175 0.625 0.0 0
M V30 47 F 12.309 0.125 0.0 0
M V30 48 F 14.041 -0.875 0.0 0
M V30 49 F 14.041 0.125 0.0 0
M V30 50 F 12.309 -0.875 0.0 0
M V30 51 P 13.8 -2.85 0.0 0 CHG=-1
M V30 52 F 13.8 -3.85 0.0 0
M V30 53 F 13.8 -1.85 0.0 0
M V30 54 F 12.934 -2.35 0.0 0
M V30 55 F 14.666 -3.35 0.0 0
M V30 56 F 14.666 -2.35 0.0 0
M V30 57 F 12.934 -3.35 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 2 21 19
M V30 20 2 22 20
M V30 21 1 19 23
M V30 22 1 20 21
M V30 23 2 23 24
M V30 24 1 24 22
M V30 25 2 27 25
M V30 26 2 28 26
M V30 27 1 25 29
M V30 28 1 26 27
M V30 29 2 29 30
M V30 30 1 30 28
M V30 31 2 33 31
M V30 32 2 34 32
M V30 33 1 31 35
M V30 34 1 32 33
M V30 35 2 35 36
M V30 36 1 36 34
M V30 37 1 14 23
M V30 38 1 28 33
M V30 39 1 7 4
M V30 40 1 12 37
M V30 41 1 5 38
M V30 42 1 34 39
M V30 43 1 27 40
M V30 44 1 21 41
M V30 45 1 13 42
M V30 46 10 16 43
M V30 47 10 24 43
M V30 48 10 30 43
M V30 49 10 31 43
M V30 50 10 9 43
M V30 51 10 2 43
M V30 52 1 44 45
M V30 53 1 44 46
M V30 54 1 44 47
M V30 55 1 44 48
M V30 56 1 44 49
M V30 57 1 44 50
M V30 58 1 51 52
M V30 59 1 51 53
M V30 60 1 51 54
M V30 61 1 51 55
M V30 62 1 51 56
M V30 63 1 51 57
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Investigations====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

==== Sacrificial electron donor ====
In this study, the experiments were done with the sacrificial electron donors TEOA {{#moleculelink:|link=GSEJCLTVZPLZKY-UHFFFAOYSA-N|image=false|width=300|height=200}} and BI(OH)H {{#moleculelink:|link=NNENGKYNKIWEEY-UHFFFAOYSA-N|image=false|width=300|height=200}}.

{{#moleculelink:|link=NNENGKYNKIWEEY-UHFFFAOYSA-N|image=true}}{{#moleculelink:|link=GSEJCLTVZPLZKY-UHFFFAOYSA-N|image=true}}

==== Additives ====
[[Category:Photocatalytic CO2 conversion to HCOOH]]

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer

2024-01-09T12:45:08Z

Helena:

{{#doiinfobox: 10.1021/acscatal.3c00036}}
[[Category:Homogeneous photocatalytic CO2 conversion]]
{{BaseTemplate}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to CO was shown using the cobalt complex {{#moleculelink:|link=OZQYFMFOIFRRLI-UHFFFAOYSA-L|image=false|width=300|height=200}} as a catalyst in combination with the organic, water soluble triazatriangulenium photosensitizer {{#moleculelink:|link=DORDHQADTWICIT-UHFFFAOYSA-N|image=false|width=300|height=200}}. Turnover numbers (TONs) up to 19000 and selectivity of 93% for CO were reached in acetonitrile with 20% of water. The experiments were conducted under visible-light irradiation (λ > 450 nm) using tertiary amines or BIH as sacrificial reductants (see section SEDs below). The photoreduction could also be shown in pure water.

==== Advances and special progress ====
The photoreduction of CO2 to CO could be shown in 100% water with a TON of 2600 and a selectivity of 94% without any noble metals or rare materials.

==== Additional remarks ====
In initial experiments, CO and formate were first produced with a total TON >3700 upon irradiation in CO2-saturated CH3CN solution with visible light. The addition of water enhanced the catalysis and directed it toward CO production (19,000 TON, 93% selectivity).

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to CO under visible-light catalysis using a cobalt complex as a catalyst. The catalytic system performs best (referring to the TON of CO production) in acetonitrile with 20% water using BIH and TEOA.

==== Catalyst ====
<chemform smiles="C1C2C3C=CC=C4C5C=CC=C6C7C=CC=CN=7[Co+2](O)(O)(N=34)(N=56)N=2C=CC=1.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O" inchi="1S/C20H14N4.2ClHO4.Co.2H2O/c1-3-13-21-15(7-1)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22-16;2*2-1(3,4)5;;;/h1-14H;2*(H,2,3,4,5);;2*1H2/q;;;+2;;/p-2" inchikey="OZQYFMFOIFRRLI-UHFFFAOYSA-L" height="200px" width="300px" float="none"></chemform><chemform smiles="[Co+2]([Cl-])[Cl-]" inchi="1S/2ClH.Co/h2*1H;/q;;+2/p-2" inchikey="GVPFVAHMJGGAJG-UHFFFAOYSA-L" height="200px" width="300px" float="none">
-INDIGO-11172313372D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 3 2 0 0 0
M V30 BEGIN ATOM
M V30 1 Co 9.475 -6.35 0.0 0 CHG=2
M V30 2 Cl 10.1821 -7.05711 0.0 0 CHG=-1
M V30 3 Cl 9.73382 -5.38407 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 1 3
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Photosensitizer ====
<chemform smiles="C12C3N(CCCC)C4C5[C+]1C1C(N(CCCC)C=5C=CC=4)=CC=CC=1N(CCCC)C=2C=CC=3.[P-](F)(F)(F)(F)(F)F" inchi="1S/C31H36N3.F6P/c1-4-7-19-32-22-13-10-15-24-28(22)31-29-23(32)14-11-16-25(29)34(21-9-6-3)27-18-12-17-26(30(27)31)33(24)20-8-5-2;1-7(2,3,4,5)6/h10-18H,4-9,19-21H2,1-3H3;/q+1;-1" inchikey="DORDHQADTWICIT-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-11172313202D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 45 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.25899 -8.02499 0.0 0
M V30 2 C 3.25899 -9.02501 0.0 0
M V30 3 N 4.125 -9.52501 0.0 0
M V30 4 C 4.99101 -9.02501 0.0 0
M V30 5 C 4.99101 -8.02499 0.0 0
M V30 6 C 4.125 -7.52499 0.0 0 CHG=1
M V30 7 C 2.39529 -9.52292 0.0 0
M V30 8 C 1.52891 -9.02305 0.0 0
M V30 9 C 2.38914 -7.52312 0.0 0
M V30 10 C 1.52671 -8.02806 0.0 0
M V30 11 C 5.85471 -7.52708 0.0 0
M V30 12 C 6.72109 -8.02695 0.0 0
M V30 13 C 5.86086 -9.52688 0.0 0
M V30 14 C 6.72329 -9.02194 0.0 0
M V30 15 C 4.125 -10.525 0.0 0
M V30 16 C 3.25897 -11.025 0.0 0
M V30 17 C 3.25897 -12.025 0.0 0
M V30 18 C 2.39295 -12.525 0.0 0
M V30 19 N 5.85536 -6.53012 0.0 0
M V30 20 C 4.99232 -6.03107 0.0 0
M V30 21 C 4.12863 -6.52899 0.0 0
M V30 22 C 3.25846 -6.01651 0.0 0
M V30 23 N 2.38888 -6.51888 0.0 0
M V30 24 C 3.2689 -5.03378 0.0 0
M V30 25 C 4.99268 -5.02992 0.0 0
M V30 26 C 4.12716 -4.53647 0.0 0
M V30 27 C 6.72172 -6.03069 0.0 0
M V30 28 C 7.58741 -6.53127 0.0 0
M V30 29 C 8.45377 -6.03184 0.0 0
M V30 30 C 9.31946 -6.53241 0.0 0
M V30 31 C 1.52272 -6.01911 0.0 0
M V30 32 C 1.52245 -5.01911 0.0 0
M V30 33 C 0.65629 -4.51935 0.0 0
M V30 34 C 0.656021 -3.51935 0.0 0
M V30 35 P 14.125 -6.75 0.0 0 CHG=-1
M V30 36 F 14.3838 -7.71593 0.0 0
M V30 37 F 14.8321 -6.04289 0.0 0
M V30 38 F 13.1591 -6.49118 0.0 0
M V30 39 F 13.8662 -5.78407 0.0 0
M V30 40 F 15.0909 -7.00882 0.0 0
M V30 41 F 13.4179 -7.45711 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 6
M V30 2 2 1 2
M V30 3 1 2 3
M V30 4 1 3 4
M V30 5 2 4 5
M V30 6 1 5 6
M V30 7 2 8 7
M V30 8 1 1 9
M V30 9 1 7 2
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 4 13
M V30 14 1 11 5
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 3 15
M V30 18 1 15 16
M V30 19 1 16 17
M V30 20 1 17 18
M V30 21 1 11 19
M V30 22 1 19 20
M V30 23 2 20 21
M V30 24 1 21 6
M V30 25 1 22 23
M V30 26 1 23 9
M V30 27 2 24 22
M V30 28 1 20 25
M V30 29 2 25 26
M V30 30 1 26 24
M V30 31 1 22 21
M V30 32 1 19 27
M V30 33 1 27 28
M V30 34 1 28 29
M V30 35 1 29 30
M V30 36 1 23 31
M V30 37 1 31 32
M V30 38 1 32 33
M V30 39 1 33 34
M V30 40 1 35 36
M V30 41 1 35 37
M V30 42 1 35 38
M V30 43 1 35 39
M V30 44 1 35 40
M V30 45 1 35 41
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Investigations ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions|importFile=}}

{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Photocatalytic CO2 Reduction by 1 (2 μM) in CO2-Saturated Aqueous CH3CN Solutions|importFile=}}

==== Sacrificial electron donor ====
In this study, the experiments were done with the sacrificial reductants TEOA ([[Molecule:100507|100507]]), BIH ([[Molecule:100508|100508]]), and TEA ([[Molecule:100505|100505]]).

==== Additives ====
In this study, some experiments were conducted under argon atmosphere or with the addition of Hg.

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer

2024-01-09T12:44:38Z

Helena: content

{{#doiinfobox: 10.1021/acscatal.3c00036}}
[[Category:Homogeneous photocatalytic CO2 conversion]]
{{BaseTemplate}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to CO was shown using the cobalt complex {{#moleculelink:|link=OZQYFMFOIFRRLI-UHFFFAOYSA-L|image=false|width=300|height=200}} as a catalyst in combination with the organic, water soluble triazatriangulenium photosensitizer {{#moleculelink:|link=DORDHQADTWICIT-UHFFFAOYSA-N|image=false|width=300|height=200}}. Turnover numbers (TONs) up to 19000 and selectivity of 93% for CO were reached in acetonitrile with 20% of water. The experiments were conducted under visible-light irradiation (λ > 450 nm) using tertiary amines or BIH as sacrificial reductants (see section SEDs below). The photoreduction could also be shown in 100% water.

==== Advances and special progress ====
The photoreduction of CO2 to CO could be shown in 100% water with a TON of 2600 and a selectivity of 94% without any noble metals or rare materials.

==== Additional remarks ====
In initial experiments, CO and formate were first produced with a total TON >3700 upon irradiation in CO2-saturated CH3CN solution with visible light. The addition of water enhanced the catalysis and directed it toward CO production (19,000 TON, 93% selectivity).

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to CO under visible-light catalysis using a cobalt complex as a catalyst. The catalytic system performs best (referring to the TON of CO production) in acetonitrile with 20% water using BIH and TEOA.

==== Catalyst ====
<chemform smiles="C1C2C3C=CC=C4C5C=CC=C6C7C=CC=CN=7[Co+2](O)(O)(N=34)(N=56)N=2C=CC=1.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O" inchi="1S/C20H14N4.2ClHO4.Co.2H2O/c1-3-13-21-15(7-1)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22-16;2*2-1(3,4)5;;;/h1-14H;2*(H,2,3,4,5);;2*1H2/q;;;+2;;/p-2" inchikey="OZQYFMFOIFRRLI-UHFFFAOYSA-L" height="200px" width="300px" float="none"></chemform><chemform smiles="[Co+2]([Cl-])[Cl-]" inchi="1S/2ClH.Co/h2*1H;/q;;+2/p-2" inchikey="GVPFVAHMJGGAJG-UHFFFAOYSA-L" height="200px" width="300px" float="none">
-INDIGO-11172313372D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 3 2 0 0 0
M V30 BEGIN ATOM
M V30 1 Co 9.475 -6.35 0.0 0 CHG=2
M V30 2 Cl 10.1821 -7.05711 0.0 0 CHG=-1
M V30 3 Cl 9.73382 -5.38407 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 1 3
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Photosensitizer ====
<chemform smiles="C12C3N(CCCC)C4C5[C+]1C1C(N(CCCC)C=5C=CC=4)=CC=CC=1N(CCCC)C=2C=CC=3.[P-](F)(F)(F)(F)(F)F" inchi="1S/C31H36N3.F6P/c1-4-7-19-32-22-13-10-15-24-28(22)31-29-23(32)14-11-16-25(29)34(21-9-6-3)27-18-12-17-26(30(27)31)33(24)20-8-5-2;1-7(2,3,4,5)6/h10-18H,4-9,19-21H2,1-3H3;/q+1;-1" inchikey="DORDHQADTWICIT-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-11172313202D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 45 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.25899 -8.02499 0.0 0
M V30 2 C 3.25899 -9.02501 0.0 0
M V30 3 N 4.125 -9.52501 0.0 0
M V30 4 C 4.99101 -9.02501 0.0 0
M V30 5 C 4.99101 -8.02499 0.0 0
M V30 6 C 4.125 -7.52499 0.0 0 CHG=1
M V30 7 C 2.39529 -9.52292 0.0 0
M V30 8 C 1.52891 -9.02305 0.0 0
M V30 9 C 2.38914 -7.52312 0.0 0
M V30 10 C 1.52671 -8.02806 0.0 0
M V30 11 C 5.85471 -7.52708 0.0 0
M V30 12 C 6.72109 -8.02695 0.0 0
M V30 13 C 5.86086 -9.52688 0.0 0
M V30 14 C 6.72329 -9.02194 0.0 0
M V30 15 C 4.125 -10.525 0.0 0
M V30 16 C 3.25897 -11.025 0.0 0
M V30 17 C 3.25897 -12.025 0.0 0
M V30 18 C 2.39295 -12.525 0.0 0
M V30 19 N 5.85536 -6.53012 0.0 0
M V30 20 C 4.99232 -6.03107 0.0 0
M V30 21 C 4.12863 -6.52899 0.0 0
M V30 22 C 3.25846 -6.01651 0.0 0
M V30 23 N 2.38888 -6.51888 0.0 0
M V30 24 C 3.2689 -5.03378 0.0 0
M V30 25 C 4.99268 -5.02992 0.0 0
M V30 26 C 4.12716 -4.53647 0.0 0
M V30 27 C 6.72172 -6.03069 0.0 0
M V30 28 C 7.58741 -6.53127 0.0 0
M V30 29 C 8.45377 -6.03184 0.0 0
M V30 30 C 9.31946 -6.53241 0.0 0
M V30 31 C 1.52272 -6.01911 0.0 0
M V30 32 C 1.52245 -5.01911 0.0 0
M V30 33 C 0.65629 -4.51935 0.0 0
M V30 34 C 0.656021 -3.51935 0.0 0
M V30 35 P 14.125 -6.75 0.0 0 CHG=-1
M V30 36 F 14.3838 -7.71593 0.0 0
M V30 37 F 14.8321 -6.04289 0.0 0
M V30 38 F 13.1591 -6.49118 0.0 0
M V30 39 F 13.8662 -5.78407 0.0 0
M V30 40 F 15.0909 -7.00882 0.0 0
M V30 41 F 13.4179 -7.45711 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 6
M V30 2 2 1 2
M V30 3 1 2 3
M V30 4 1 3 4
M V30 5 2 4 5
M V30 6 1 5 6
M V30 7 2 8 7
M V30 8 1 1 9
M V30 9 1 7 2
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 4 13
M V30 14 1 11 5
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 3 15
M V30 18 1 15 16
M V30 19 1 16 17
M V30 20 1 17 18
M V30 21 1 11 19
M V30 22 1 19 20
M V30 23 2 20 21
M V30 24 1 21 6
M V30 25 1 22 23
M V30 26 1 23 9
M V30 27 2 24 22
M V30 28 1 20 25
M V30 29 2 25 26
M V30 30 1 26 24
M V30 31 1 22 21
M V30 32 1 19 27
M V30 33 1 27 28
M V30 34 1 28 29
M V30 35 1 29 30
M V30 36 1 23 31
M V30 37 1 31 32
M V30 38 1 32 33
M V30 39 1 33 34
M V30 40 1 35 36
M V30 41 1 35 37
M V30 42 1 35 38
M V30 43 1 35 39
M V30 44 1 35 40
M V30 45 1 35 41
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Investigations ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions|importFile=}}

{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Photocatalytic CO2 Reduction by 1 (2 μM) in CO2-Saturated Aqueous CH3CN Solutions|importFile=}}

==== Sacrificial electron donor ====
In this study, the experiments were done with the sacrificial reductants TEOA ([[Molecule:100507|100507]]), BIH ([[Molecule:100508|100508]]), and TEA ([[Molecule:100505|100505]]).

==== Additives ====
In this study, some experiments were conducted under argon atmosphere or with the addition of Hg.

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer

2024-01-09T12:37:20Z

Helena: content

{{#doiinfobox: 10.1021/acscatal.3c00036}}
[[Category:Homogeneous photocatalytic CO2 conversion]]
{{BaseTemplate}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to CO was shown using the cobalt complex {{#moleculelink:|link=OZQYFMFOIFRRLI-UHFFFAOYSA-L|image=false|width=300|height=200}} as a catalyst in combination with the organic, water soluble triazatriangulenium photosensitizer {{#moleculelink:|link=DORDHQADTWICIT-UHFFFAOYSA-N|image=false|width=300|height=200}}. Turnover numbers (TONs) up to 19000 and selectivity of 93% for CO were reached in acetonitrile with 20% of water. The experiments were conducted under visible-light irradiation (λ > 450 nm) using tertiary amines or BIH as sacrificial reductants (see section SEDs below).

==== Advances and special progress ====
The photoreduction of CO2 to CO could be shown in 100% water with a TON of 2600 and a selectivity of 94% without any noble metals or rare materials.

==== Additional remarks ====

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to CO under visible-light catalysis using a cobalt complex as a catalyst. The catalytic system performs best (referring to the TON of CO production) in acetonitrile with 20% water using BIH and TEOA.

==== Catalyst ====
<chemform smiles="C1C2C3C=CC=C4C5C=CC=C6C7C=CC=CN=7[Co+2](O)(O)(N=34)(N=56)N=2C=CC=1.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O" inchi="1S/C20H14N4.2ClHO4.Co.2H2O/c1-3-13-21-15(7-1)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22-16;2*2-1(3,4)5;;;/h1-14H;2*(H,2,3,4,5);;2*1H2/q;;;+2;;/p-2" inchikey="OZQYFMFOIFRRLI-UHFFFAOYSA-L" height="200px" width="300px" float="none"></chemform><chemform smiles="[Co+2]([Cl-])[Cl-]" inchi="1S/2ClH.Co/h2*1H;/q;;+2/p-2" inchikey="GVPFVAHMJGGAJG-UHFFFAOYSA-L" height="200px" width="300px" float="none">
-INDIGO-11172313372D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 3 2 0 0 0
M V30 BEGIN ATOM
M V30 1 Co 9.475 -6.35 0.0 0 CHG=2
M V30 2 Cl 10.1821 -7.05711 0.0 0 CHG=-1
M V30 3 Cl 9.73382 -5.38407 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 1 3
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Photosensitizer ====
<chemform smiles="C12C3N(CCCC)C4C5[C+]1C1C(N(CCCC)C=5C=CC=4)=CC=CC=1N(CCCC)C=2C=CC=3.[P-](F)(F)(F)(F)(F)F" inchi="1S/C31H36N3.F6P/c1-4-7-19-32-22-13-10-15-24-28(22)31-29-23(32)14-11-16-25(29)34(21-9-6-3)27-18-12-17-26(30(27)31)33(24)20-8-5-2;1-7(2,3,4,5)6/h10-18H,4-9,19-21H2,1-3H3;/q+1;-1" inchikey="DORDHQADTWICIT-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-11172313202D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 45 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.25899 -8.02499 0.0 0
M V30 2 C 3.25899 -9.02501 0.0 0
M V30 3 N 4.125 -9.52501 0.0 0
M V30 4 C 4.99101 -9.02501 0.0 0
M V30 5 C 4.99101 -8.02499 0.0 0
M V30 6 C 4.125 -7.52499 0.0 0 CHG=1
M V30 7 C 2.39529 -9.52292 0.0 0
M V30 8 C 1.52891 -9.02305 0.0 0
M V30 9 C 2.38914 -7.52312 0.0 0
M V30 10 C 1.52671 -8.02806 0.0 0
M V30 11 C 5.85471 -7.52708 0.0 0
M V30 12 C 6.72109 -8.02695 0.0 0
M V30 13 C 5.86086 -9.52688 0.0 0
M V30 14 C 6.72329 -9.02194 0.0 0
M V30 15 C 4.125 -10.525 0.0 0
M V30 16 C 3.25897 -11.025 0.0 0
M V30 17 C 3.25897 -12.025 0.0 0
M V30 18 C 2.39295 -12.525 0.0 0
M V30 19 N 5.85536 -6.53012 0.0 0
M V30 20 C 4.99232 -6.03107 0.0 0
M V30 21 C 4.12863 -6.52899 0.0 0
M V30 22 C 3.25846 -6.01651 0.0 0
M V30 23 N 2.38888 -6.51888 0.0 0
M V30 24 C 3.2689 -5.03378 0.0 0
M V30 25 C 4.99268 -5.02992 0.0 0
M V30 26 C 4.12716 -4.53647 0.0 0
M V30 27 C 6.72172 -6.03069 0.0 0
M V30 28 C 7.58741 -6.53127 0.0 0
M V30 29 C 8.45377 -6.03184 0.0 0
M V30 30 C 9.31946 -6.53241 0.0 0
M V30 31 C 1.52272 -6.01911 0.0 0
M V30 32 C 1.52245 -5.01911 0.0 0
M V30 33 C 0.65629 -4.51935 0.0 0
M V30 34 C 0.656021 -3.51935 0.0 0
M V30 35 P 14.125 -6.75 0.0 0 CHG=-1
M V30 36 F 14.3838 -7.71593 0.0 0
M V30 37 F 14.8321 -6.04289 0.0 0
M V30 38 F 13.1591 -6.49118 0.0 0
M V30 39 F 13.8662 -5.78407 0.0 0
M V30 40 F 15.0909 -7.00882 0.0 0
M V30 41 F 13.4179 -7.45711 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 6
M V30 2 2 1 2
M V30 3 1 2 3
M V30 4 1 3 4
M V30 5 2 4 5
M V30 6 1 5 6
M V30 7 2 8 7
M V30 8 1 1 9
M V30 9 1 7 2
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 4 13
M V30 14 1 11 5
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 3 15
M V30 18 1 15 16
M V30 19 1 16 17
M V30 20 1 17 18
M V30 21 1 11 19
M V30 22 1 19 20
M V30 23 2 20 21
M V30 24 1 21 6
M V30 25 1 22 23
M V30 26 1 23 9
M V30 27 2 24 22
M V30 28 1 20 25
M V30 29 2 25 26
M V30 30 1 26 24
M V30 31 1 22 21
M V30 32 1 19 27
M V30 33 1 27 28
M V30 34 1 28 29
M V30 35 1 29 30
M V30 36 1 23 31
M V30 37 1 31 32
M V30 38 1 32 33
M V30 39 1 33 34
M V30 40 1 35 36
M V30 41 1 35 37
M V30 42 1 35 38
M V30 43 1 35 39
M V30 44 1 35 40
M V30 45 1 35 41
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Investigations ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions|importFile=}}

{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Photocatalytic CO2 Reduction by 1 (2 μM) in CO2-Saturated Aqueous CH3CN Solutions|importFile=}}

==== Sacrificial electron donor ====
In this study, the experiments were done with the sacrificial reductants TEOA ([[Molecule:100507|100507]]), BIH ([[Molecule:100508|100508]]), and TEA ([[Molecule:100505|100505]]).

<chemform smiles="" inchi="" inchikey="VDFIVJSRRJXMAU-UHFFFAOYSA-N" height="200px" width="300px" float="none"></chemform>

==== Additives ====

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer

2024-01-09T12:24:36Z

Helena: Content

{{#doiinfobox: 10.1021/acscatal.3c00036}}
[[Category:Homogeneous photocatalytic CO2 conversion]]
{{BaseTemplate}}

=== Abstract ===

==== Summary ====
A photochemical reduction of CO2 to CO was shown using the cobalt complex [[Molecule:100826|100826]] as a catalyst in combination with the organic, water soluble triazatriangulenium photosensitizer [[Molecule:100498|100498]]. Turnover numbers (TONs) up to 19000 and selectivity of 93% for CO were reached in acetonitrile with 20% of water. The experiments were conducted under visible-light irradiation (λ > 450 nm) using tertiary amines or BIH as sacrificial electron donors (see section SEDs below).

==== Advances and special progress ====
The photoreduction of CO2 to CO could be shown in 100% water with a TON of 2600 and a selectivity of 94% without any noble metals or rare materials.

==== Additional remarks ====

=== Content of the published article in detail ===
The article contains results for the reduction of CO2 to CO under visible-light catalysis using a cobalt complex as a catalyst. The catalytic system performs best (referring to the TON of CO production) for CO as a feedstock.

==== Catalyst ====
<chemform smiles="C1C2C3C=CC=C4C5C=CC=C6C7C=CC=CN=7[Co+2](O)(O)(N=34)(N=56)N=2C=CC=1.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O" inchi="1S/C20H14N4.2ClHO4.Co.2H2O/c1-3-13-21-15(7-1)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22-16;2*2-1(3,4)5;;;/h1-14H;2*(H,2,3,4,5);;2*1H2/q;;;+2;;/p-2" inchikey="OZQYFMFOIFRRLI-UHFFFAOYSA-L" height="200px" width="300px" float="none"></chemform><chemform smiles="[Co+2]([Cl-])[Cl-]" inchi="1S/2ClH.Co/h2*1H;/q;;+2/p-2" inchikey="GVPFVAHMJGGAJG-UHFFFAOYSA-L" height="200px" width="300px" float="none">
-INDIGO-11172313372D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 3 2 0 0 0
M V30 BEGIN ATOM
M V30 1 Co 9.475 -6.35 0.0 0 CHG=2
M V30 2 Cl 10.1821 -7.05711 0.0 0 CHG=-1
M V30 3 Cl 9.73382 -5.38407 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 1 3
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Photosensitizer ====
<chemform smiles="C12C3N(CCCC)C4C5[C+]1C1C(N(CCCC)C=5C=CC=4)=CC=CC=1N(CCCC)C=2C=CC=3.[P-](F)(F)(F)(F)(F)F" inchi="1S/C31H36N3.F6P/c1-4-7-19-32-22-13-10-15-24-28(22)31-29-23(32)14-11-16-25(29)34(21-9-6-3)27-18-12-17-26(30(27)31)33(24)20-8-5-2;1-7(2,3,4,5)6/h10-18H,4-9,19-21H2,1-3H3;/q+1;-1" inchikey="DORDHQADTWICIT-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-11172313202D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 45 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.25899 -8.02499 0.0 0
M V30 2 C 3.25899 -9.02501 0.0 0
M V30 3 N 4.125 -9.52501 0.0 0
M V30 4 C 4.99101 -9.02501 0.0 0
M V30 5 C 4.99101 -8.02499 0.0 0
M V30 6 C 4.125 -7.52499 0.0 0 CHG=1
M V30 7 C 2.39529 -9.52292 0.0 0
M V30 8 C 1.52891 -9.02305 0.0 0
M V30 9 C 2.38914 -7.52312 0.0 0
M V30 10 C 1.52671 -8.02806 0.0 0
M V30 11 C 5.85471 -7.52708 0.0 0
M V30 12 C 6.72109 -8.02695 0.0 0
M V30 13 C 5.86086 -9.52688 0.0 0
M V30 14 C 6.72329 -9.02194 0.0 0
M V30 15 C 4.125 -10.525 0.0 0
M V30 16 C 3.25897 -11.025 0.0 0
M V30 17 C 3.25897 -12.025 0.0 0
M V30 18 C 2.39295 -12.525 0.0 0
M V30 19 N 5.85536 -6.53012 0.0 0
M V30 20 C 4.99232 -6.03107 0.0 0
M V30 21 C 4.12863 -6.52899 0.0 0
M V30 22 C 3.25846 -6.01651 0.0 0
M V30 23 N 2.38888 -6.51888 0.0 0
M V30 24 C 3.2689 -5.03378 0.0 0
M V30 25 C 4.99268 -5.02992 0.0 0
M V30 26 C 4.12716 -4.53647 0.0 0
M V30 27 C 6.72172 -6.03069 0.0 0
M V30 28 C 7.58741 -6.53127 0.0 0
M V30 29 C 8.45377 -6.03184 0.0 0
M V30 30 C 9.31946 -6.53241 0.0 0
M V30 31 C 1.52272 -6.01911 0.0 0
M V30 32 C 1.52245 -5.01911 0.0 0
M V30 33 C 0.65629 -4.51935 0.0 0
M V30 34 C 0.656021 -3.51935 0.0 0
M V30 35 P 14.125 -6.75 0.0 0 CHG=-1
M V30 36 F 14.3838 -7.71593 0.0 0
M V30 37 F 14.8321 -6.04289 0.0 0
M V30 38 F 13.1591 -6.49118 0.0 0
M V30 39 F 13.8662 -5.78407 0.0 0
M V30 40 F 15.0909 -7.00882 0.0 0
M V30 41 F 13.4179 -7.45711 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 6
M V30 2 2 1 2
M V30 3 1 2 3
M V30 4 1 3 4
M V30 5 2 4 5
M V30 6 1 5 6
M V30 7 2 8 7
M V30 8 1 1 9
M V30 9 1 7 2
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 4 13
M V30 14 1 11 5
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 3 15
M V30 18 1 15 16
M V30 19 1 16 17
M V30 20 1 17 18
M V30 21 1 11 19
M V30 22 1 19 20
M V30 23 2 20 21
M V30 24 1 21 6
M V30 25 1 22 23
M V30 26 1 23 9
M V30 27 2 24 22
M V30 28 1 20 25
M V30 29 2 25 26
M V30 30 1 26 24
M V30 31 1 22 21
M V30 32 1 19 27
M V30 33 1 27 28
M V30 34 1 28 29
M V30 35 1 29 30
M V30 36 1 23 31
M V30 37 1 31 32
M V30 38 1 32 33
M V30 39 1 33 34
M V30 40 1 35 36
M V30 41 1 35 37
M V30 42 1 35 38
M V30 43 1 35 39
M V30 44 1 35 40
M V30 45 1 35 41
M V30 END BOND
M V30 END CTAB
M END
</chemform>

==== Investigations ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions|importFile=}}

{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Photocatalytic CO2 Reduction by 1 (2 μM) in CO2-Saturated Aqueous CH3CN Solutions|importFile=}}

==== Sacrificial electron donor ====
<chemform smiles="" inchi="" inchikey="VDFIVJSRRJXMAU-UHFFFAOYSA-N" height="200px" width="300px" float="none"></chemform>

==== Additives ====

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer/Photocatalytic CO2 Reduction by 1 (2 μM) in CO2-Saturated Aqueous CH3CN Solutions

2023-11-17T13:15:34Z

Helena:

{{Photocatalytic CO2 conversion experiments
|experiments={{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100507
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=100/0
|λexc=450
|TON CO=2332
|TON H2=106
|TON HCOOH=1370
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100507
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=95/5
|λexc=450
|TON CO=6228
|TON H2=304
|TON HCOOH=2441
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100507
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=90/10
|λexc=450
|TON CO=14691
|TON H2=283
|TON HCOOH=1097
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100507
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=85/15
|λexc=450
|TON CO=15822
|TON H2=220
|TON HCOOH=1147
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100507
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=80/20
|λexc=450
|TON CO=18989
|TON H2=227
|TON HCOOH=1215
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100507
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=80/20
|additives=Hg
|λexc=450
|TON CO=19646
|TON H2=226
|TON HCOOH=415
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100505
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=100/0
|λexc=450
|TON CO=183
|TON H2=9
|TON HCOOH=419
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100505
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=95/5
|λexc=450
|TON CO=612
|TON H2=202
|TON HCOOH=51
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100505
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=90/10
|λexc=450
|TON CO=515
|TON H2=253
|TON HCOOH=46
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100505
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=85/15
|λexc=450
|TON CO=3171
|TON H2=498
|TON HCOOH=179
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100505
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=80/20
|λexc=450
|TON CO=6331
|TON H2=264
|TON HCOOH=179
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|PS=Molecule:100797
|PS conc=0.2
|e-D=Molecule:100508
|e-D conc=0.1
|H-D=Molecule:100505
|H-D conc=0.15
|solvent A=Molecule:100530
|solvent B=Molecule:100616
|solvent-ratio=80/20
|additives=Hg
|λexc=450
|TON CO=6286
|TON H2=304
|TON HCOOH=97
|include=No
}}
}}

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer/Photocatalytic CO2 Reduction by 1 (2 μM) in CO2-Saturated Aqueous CH3CN Solutions

2023-11-17T13:13:56Z

Helena:

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer

2023-11-17T12:57:14Z

Helena:

{{#doiinfobox: 10.1021/acscatal.3c00036}}
[[Category:Homogeneous photocatalytic CO2 conversion]]
{{BaseTemplate}}

== Catalyst ==
<chemform smiles="C1C2C3C=CC=C4C5C=CC=C6C7C=CC=CN=7[Co+2](O)(O)(N=34)(N=56)N=2C=CC=1.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O" inchi="1S/C20H14N4.2ClHO4.Co.2H2O/c1-3-13-21-15(7-1)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22-16;2*2-1(3,4)5;;;/h1-14H;2*(H,2,3,4,5);;2*1H2/q;;;+2;;/p-2" inchikey="OZQYFMFOIFRRLI-UHFFFAOYSA-L" height="200px" width="300px" float="none"></chemform><chemform smiles="[Co+2]([Cl-])[Cl-]" inchi="1S/2ClH.Co/h2*1H;/q;;+2/p-2" inchikey="GVPFVAHMJGGAJG-UHFFFAOYSA-L" height="200px" width="300px" float="none">
-INDIGO-11172313372D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 3 2 0 0 0
M V30 BEGIN ATOM
M V30 1 Co 9.475 -6.35 0.0 0 CHG=2
M V30 2 Cl 10.1821 -7.05711 0.0 0 CHG=-1
M V30 3 Cl 9.73382 -5.38407 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 1 3
M V30 END BOND
M V30 END CTAB
M END
</chemform>

== Photosensitizer ==
<chemform smiles="C12C3N(CCCC)C4C5[C+]1C1C(N(CCCC)C=5C=CC=4)=CC=CC=1N(CCCC)C=2C=CC=3.[P-](F)(F)(F)(F)(F)F" inchi="1S/C31H36N3.F6P/c1-4-7-19-32-22-13-10-15-24-28(22)31-29-23(32)14-11-16-25(29)34(21-9-6-3)27-18-12-17-26(30(27)31)33(24)20-8-5-2;1-7(2,3,4,5)6/h10-18H,4-9,19-21H2,1-3H3;/q+1;-1" inchikey="DORDHQADTWICIT-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-11172313202D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 45 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.25899 -8.02499 0.0 0
M V30 2 C 3.25899 -9.02501 0.0 0
M V30 3 N 4.125 -9.52501 0.0 0
M V30 4 C 4.99101 -9.02501 0.0 0
M V30 5 C 4.99101 -8.02499 0.0 0
M V30 6 C 4.125 -7.52499 0.0 0 CHG=1
M V30 7 C 2.39529 -9.52292 0.0 0
M V30 8 C 1.52891 -9.02305 0.0 0
M V30 9 C 2.38914 -7.52312 0.0 0
M V30 10 C 1.52671 -8.02806 0.0 0
M V30 11 C 5.85471 -7.52708 0.0 0
M V30 12 C 6.72109 -8.02695 0.0 0
M V30 13 C 5.86086 -9.52688 0.0 0
M V30 14 C 6.72329 -9.02194 0.0 0
M V30 15 C 4.125 -10.525 0.0 0
M V30 16 C 3.25897 -11.025 0.0 0
M V30 17 C 3.25897 -12.025 0.0 0
M V30 18 C 2.39295 -12.525 0.0 0
M V30 19 N 5.85536 -6.53012 0.0 0
M V30 20 C 4.99232 -6.03107 0.0 0
M V30 21 C 4.12863 -6.52899 0.0 0
M V30 22 C 3.25846 -6.01651 0.0 0
M V30 23 N 2.38888 -6.51888 0.0 0
M V30 24 C 3.2689 -5.03378 0.0 0
M V30 25 C 4.99268 -5.02992 0.0 0
M V30 26 C 4.12716 -4.53647 0.0 0
M V30 27 C 6.72172 -6.03069 0.0 0
M V30 28 C 7.58741 -6.53127 0.0 0
M V30 29 C 8.45377 -6.03184 0.0 0
M V30 30 C 9.31946 -6.53241 0.0 0
M V30 31 C 1.52272 -6.01911 0.0 0
M V30 32 C 1.52245 -5.01911 0.0 0
M V30 33 C 0.65629 -4.51935 0.0 0
M V30 34 C 0.656021 -3.51935 0.0 0
M V30 35 P 14.125 -6.75 0.0 0 CHG=-1
M V30 36 F 14.3838 -7.71593 0.0 0
M V30 37 F 14.8321 -6.04289 0.0 0
M V30 38 F 13.1591 -6.49118 0.0 0
M V30 39 F 13.8662 -5.78407 0.0 0
M V30 40 F 15.0909 -7.00882 0.0 0
M V30 41 F 13.4179 -7.45711 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 6
M V30 2 2 1 2
M V30 3 1 2 3
M V30 4 1 3 4
M V30 5 2 4 5
M V30 6 1 5 6
M V30 7 2 8 7
M V30 8 1 1 9
M V30 9 1 7 2
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 4 13
M V30 14 1 11 5
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 3 15
M V30 18 1 15 16
M V30 19 1 16 17
M V30 20 1 17 18
M V30 21 1 11 19
M V30 22 1 19 20
M V30 23 2 20 21
M V30 24 1 21 6
M V30 25 1 22 23
M V30 26 1 23 9
M V30 27 2 24 22
M V30 28 1 20 25
M V30 29 2 25 26
M V30 30 1 26 24
M V30 31 1 22 21
M V30 32 1 19 27
M V30 33 1 27 28
M V30 34 1 28 29
M V30 35 1 29 30
M V30 36 1 23 31
M V30 37 1 31 32
M V30 38 1 32 33
M V30 39 1 33 34
M V30 40 1 35 36
M V30 41 1 35 37
M V30 42 1 35 38
M V30 43 1 35 39
M V30 44 1 35 40
M V30 45 1 35 41
M V30 END BOND
M V30 END CTAB
M END
</chemform>

== Investigations ==
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions|importFile=}}

{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Photocatalytic CO2 Reduction by 1 (2 μM) in CO2-Saturated Aqueous CH3CN Solutions|importFile=}}

== Sacrificial electron donor ==
<chemform smiles="" inchi="" inchikey="VDFIVJSRRJXMAU-UHFFFAOYSA-N" height="200px" width="300px" float="none"></chemform>

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer/Photocatalytic CO2 Reduction by 1 (2 μM) in CO2-Saturated Aqueous CH3CN Solutions

2023-11-17T12:57:08Z

Helena: Created page with "{{Photocatalytic CO2 conversion experiments |experiments={{Photocatalytic CO2 conversion |catalyst=Molecule:100788 |cat conc=0.002 |PS=Molecule:100797 |PS conc=0.2 |e-D=Molecule:100508 |e-D conc=0.1 |H-D=Molecule:100507 |H-D conc=0.15 |solvent A=Molecule:100530 |solvent B=Molecule:100616 |solvent-ratio=100/0 |λexc=450 |TON CO=2332 |TON H2=106 |TON HCOOH=1370 |include=No }}{{Photocatalytic CO2 conversion |catalyst=Molecule:100788 |cat conc=0.002 |PS=Molecule:100797 |PS c..."

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer

2023-11-17T12:42:11Z

Helena:

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer/Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions

2023-11-17T12:41:20Z

Helena:

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer

2023-11-17T12:38:05Z

Helena:

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer/Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions

2023-11-17T12:35:11Z

Helena:

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer/Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions

2023-11-17T12:33:18Z

Helena:

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer/Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions

2023-11-17T12:31:52Z

Helena:

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer/Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions

2023-11-17T12:30:53Z

Helena:

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer/Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions

2023-11-17T12:25:53Z

Helena: Created page with "{{Photocatalytic CO2 conversion experiments |experiments={{Photocatalytic CO2 conversion |catalyst=Molecule:100788 |cat conc=0.002 |include=No }} }}"

{{Photocatalytic CO2 conversion experiments
|experiments={{Photocatalytic CO2 conversion
|catalyst=Molecule:100788
|cat conc=0.002
|include=No
}}
}}

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer

2023-11-17T12:23:29Z

Helena:

{{#doiinfobox: 10.1021/acscatal.3c00036}}
[[Category:Homogeneous photocatalytic CO2 conversion]]
{{BaseTemplate}}

== Catalyst ==
<chemform smiles="C1C2C3C=CC=C4C5C=CC=C6C7C=CC=CN=7[Co+2](O)(O)(N=34)(N=56)N=2C=CC=1.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O" inchi="1S/C20H14N4.2ClHO4.Co.2H2O/c1-3-13-21-15(7-1)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22-16;2*2-1(3,4)5;;;/h1-14H;2*(H,2,3,4,5);;2*1H2/q;;;+2;;/p-2" inchikey="OZQYFMFOIFRRLI-UHFFFAOYSA-L" height="200px" width="300px" float="none"></chemform>

== Photosensitizer ==
<chemform smiles="C12C3N(CCCC)C4C5[C+]1C1C(N(CCCC)C=5C=CC=4)=CC=CC=1N(CCCC)C=2C=CC=3.[P-](F)(F)(F)(F)(F)F" inchi="1S/C31H36N3.F6P/c1-4-7-19-32-22-13-10-15-24-28(22)31-29-23(32)14-11-16-25(29)34(21-9-6-3)27-18-12-17-26(30(27)31)33(24)20-8-5-2;1-7(2,3,4,5)6/h10-18H,4-9,19-21H2,1-3H3;/q+1;-1" inchikey="DORDHQADTWICIT-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-11172313202D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 45 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.25899 -8.02499 0.0 0
M V30 2 C 3.25899 -9.02501 0.0 0
M V30 3 N 4.125 -9.52501 0.0 0
M V30 4 C 4.99101 -9.02501 0.0 0
M V30 5 C 4.99101 -8.02499 0.0 0
M V30 6 C 4.125 -7.52499 0.0 0 CHG=1
M V30 7 C 2.39529 -9.52292 0.0 0
M V30 8 C 1.52891 -9.02305 0.0 0
M V30 9 C 2.38914 -7.52312 0.0 0
M V30 10 C 1.52671 -8.02806 0.0 0
M V30 11 C 5.85471 -7.52708 0.0 0
M V30 12 C 6.72109 -8.02695 0.0 0
M V30 13 C 5.86086 -9.52688 0.0 0
M V30 14 C 6.72329 -9.02194 0.0 0
M V30 15 C 4.125 -10.525 0.0 0
M V30 16 C 3.25897 -11.025 0.0 0
M V30 17 C 3.25897 -12.025 0.0 0
M V30 18 C 2.39295 -12.525 0.0 0
M V30 19 N 5.85536 -6.53012 0.0 0
M V30 20 C 4.99232 -6.03107 0.0 0
M V30 21 C 4.12863 -6.52899 0.0 0
M V30 22 C 3.25846 -6.01651 0.0 0
M V30 23 N 2.38888 -6.51888 0.0 0
M V30 24 C 3.2689 -5.03378 0.0 0
M V30 25 C 4.99268 -5.02992 0.0 0
M V30 26 C 4.12716 -4.53647 0.0 0
M V30 27 C 6.72172 -6.03069 0.0 0
M V30 28 C 7.58741 -6.53127 0.0 0
M V30 29 C 8.45377 -6.03184 0.0 0
M V30 30 C 9.31946 -6.53241 0.0 0
M V30 31 C 1.52272 -6.01911 0.0 0
M V30 32 C 1.52245 -5.01911 0.0 0
M V30 33 C 0.65629 -4.51935 0.0 0
M V30 34 C 0.656021 -3.51935 0.0 0
M V30 35 P 14.125 -6.75 0.0 0 CHG=-1
M V30 36 F 14.3838 -7.71593 0.0 0
M V30 37 F 14.8321 -6.04289 0.0 0
M V30 38 F 13.1591 -6.49118 0.0 0
M V30 39 F 13.8662 -5.78407 0.0 0
M V30 40 F 15.0909 -7.00882 0.0 0
M V30 41 F 13.4179 -7.45711 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 6
M V30 2 2 1 2
M V30 3 1 2 3
M V30 4 1 3 4
M V30 5 2 4 5
M V30 6 1 5 6
M V30 7 2 8 7
M V30 8 1 1 9
M V30 9 1 7 2
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 4 13
M V30 14 1 11 5
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 3 15
M V30 18 1 15 16
M V30 19 1 16 17
M V30 20 1 17 18
M V30 21 1 11 19
M V30 22 1 19 20
M V30 23 2 20 21
M V30 24 1 21 6
M V30 25 1 22 23
M V30 26 1 23 9
M V30 27 2 24 22
M V30 28 1 20 25
M V30 29 2 25 26
M V30 30 1 26 24
M V30 31 1 22 21
M V30 32 1 19 27
M V30 33 1 27 28
M V30 34 1 28 29
M V30 35 1 29 30
M V30 36 1 23 31
M V30 37 1 31 32
M V30 38 1 32 33
M V30 39 1 33 34
M V30 40 1 35 36
M V30 41 1 35 37
M V30 42 1 35 38
M V30 43 1 35 39
M V30 44 1 35 40
M V30 45 1 35 41
M V30 END BOND
M V30 END CTAB
M END
</chemform>

== Investigations ==
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Visible-Light Driven CO2 Reduction with 1/TATA+/BIH + TEOA under Various Conditions|importFile=}}

Light-Driven Reduction of CO2 to CO in Water with a Cobalt Molecular Catalyst and an Organic Sensitizer

2023-11-17T12:12:52Z

Helena: auto-generated

{{#doiinfobox: 10.1021/acscatal.3c00036}}
[[Category:Homogeneous photocatalytic CO2 conversion]]
{{BaseTemplate}}

Exploring the Full Potential of Photocatalytic Carbon Dioxide Reduction Using a Dinuclear Re2Cl2 Complex Assisted by Various Photosensitizers

2023-11-17T11:50:00Z

Helena: Test13

{{BaseTemplate}}
[[Category:Photocatalytic CO2 conversion to CO]]
{{#doiinfobox: 10.1002/cptc.202100034}}
===Catalyst===
{{#moleculelink:|link=SPPICNUXBVPFDY-UHFFFAOYSA-N|image=true}}

===Photosensitizer===
<chemform smiles="C1C(F)=C2C3N(~[Ir]4(~N5C(C6C~4=CC(F)=CC=6F)=CC=CC=5)4(~N5=C(C6C~4=CC(F)=CC=6F)C=CC=C5)~C2=CC=1F)=CC=CC=3" inchi="1S/3C11H6F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1-4,6-7H;" inchikey="GFSFWLGQTIKUOK-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-07282313512D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 43 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.78642 -2.68028 0.0 0
M V30 2 C 5.14056 -2.59641 0.0 0
M V30 3 C 4.39175 -2.33383 0.0 0
M V30 4 C 5.39789 -3.41526 0.0 0
M V30 5 C 3.76842 -3.42982 0.0 0
M V30 6 C 4.4835 -3.8551 0.0 0
M V30 7 C 3.73664 -5.01965 0.0 0
M V30 8 N 5.35444 -4.97348 0.0 0
M V30 9 C 4.43228 -4.54824 0.0 0
M V30 10 C 5.10543 -5.79993 0.0 0
M V30 11 C 3.73151 -5.76259 0.0 0
M V30 12 C 4.36622 -6.08796 0.0 0
M V30 13 C 7.2832 -0.940455 0.0 0
M V30 14 C 8.61297 -0.965021 0.0 0
M V30 15 C 7.92272 -0.573435 0.0 0
M V30 16 C 8.61778 -1.82708 0.0 0
M V30 17 C 7.11761 -1.75223 0.0 0
M V30 18 N 7.71814 -2.34174 0.0 0
M V30 19 C 9.29248 -2.2044 0.0 0
M V30 20 C 10.7832 -2.21732 0.0 0
M V30 21 C 10.1139 -1.82797 0.0 0
M V30 22 C 10.7529 -2.9821 0.0 0
M V30 23 C 9.17767 -3.18644 0.0 0
M V30 24 C 10.0599 -3.48219 0.0 0
M V30 25 C 7.08042 -6.4184 0.0 0
M V30 26 C 8.52181 -6.35762 0.0 0
M V30 27 C 7.66571 -5.87255 0.0 0
M V30 28 C 8.55837 -7.19865 0.0 0
M V30 29 C 7.2437 -7.22819 0.0 0
M V30 30 C 7.88629 -7.59686 0.0 0
M V30 31 N 8.9695 -5.08761 0.0 0
M V30 32 C 10.4599 -5.2986 0.0 0
M V30 33 C 9.78563 -4.80293 0.0 0
M V30 34 C 10.4979 -6.05696 0.0 0
M V30 35 C 9.06602 -6.07601 0.0 0
M V30 36 C 9.83633 -6.43736 0.0 0
M V30 37 F 2.73044 -3.85065 0.0 0
M V30 38 F 4.16936 -1.18429 0.0 0
M V30 39 F 10.3333 -0.706651 0.0 0
M V30 40 F 15.5714 -5.16166 0.0 0
M V30 41 F 6.43004 -7.92497 0.0 0
M V30 42 F 9.53926 -7.8578 0.0 0
M V30 43 Ir 7.32951 -4.1406 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 2 21 19
M V30 20 2 22 20
M V30 21 1 19 23
M V30 22 1 20 21
M V30 23 2 23 24
M V30 24 1 24 22
M V30 25 2 27 25
M V30 26 2 28 26
M V30 27 1 25 29
M V30 28 1 26 27
M V30 29 2 29 30
M V30 30 1 30 28
M V30 31 1 33 31
M V30 32 1 34 32
M V30 33 2 31 35
M V30 34 2 32 33
M V30 35 1 35 36
M V30 36 2 36 34
M V30 37 1 6 9
M V30 38 1 26 35
M V30 39 1 16 19
M V30 40 1 5 37
M V30 41 1 3 38
M V30 42 1 21 39
M V30 43 1 22 40
M V30 44 1 29 41
M V30 45 1 28 42
M V30 46 8 4 43
M V30 47 8 8 43
M V30 48 8 27 43
M V30 49 8 31 43
M V30 50 8 23 43
M V30 51 8 18 43
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C(C1=CC=CC=C1)1C2C=CC3C(C4C=CC=CC=4)=CC(C)=N4~[Cu]5(~P(C6C=CC=CC=6)(C6C=CC=CC=6)C6=CC=CC7C(C)(C)C8=CC=CC(P~5(C5C=CC=CC=5)C5C=CC=CC=5)=C8OC=76)~N(C=2C=34)=C(C)C=1" inchi="1S/C39H32OP2.C26H20N2.Cu/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;/h3-28H,1-2H3;3-16H,1-2H3;" inchikey="QMNAUMUCEDJLKG-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-12202211182D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 71 84 4 0 0
M V30 BEGIN ATOM
M V30 1 C 4.48485 -1.90007 0.0 0
M V30 2 C 6.21515 -1.89959 0.0 0
M V30 3 C 5.35164 -1.39997 0.0 0
M V30 4 N 6.21515 -2.90053 0.0 0
M V30 5 C 4.48485 -2.90502 0.0 0
M V30 6 C 5.35382 -3.40003 0.0 0
M V30 7 C 5.35895 -4.39702 0.0 0
M V30 8 C 4.49572 -4.90243 0.0 0
M V30 9 C 3.61817 -3.41245 0.0 0
M V30 10 C 3.63003 -4.41182 0.0 0
M V30 11 N 6.22528 -4.89093 0.0 0
M V30 12 C 6.23165 -5.89144 0.0 0
M V30 13 C 4.50212 -5.90694 0.0 0
M V30 14 C 5.37387 -6.39621 0.0 0
M V30 15 C 11.7001 -3.01693 0.0 0
M V30 16 C 11.6996 -1.28663 0.0 0
M V30 17 C 11.2 -2.15014 0.0 0
M V30 18 C 12.7006 -1.28663 0.0 0
M V30 19 C 12.7051 -3.01693 0.0 0
M V30 20 C 13.2001 -2.14796 0.0 0
M V30 21 O 11.1976 -3.88725 0.0 0
M V30 22 C 11.7001 -4.75757 0.0 0
M V30 23 C 12.705 -4.75757 0.0 0
M V30 24 C 13.2075 -3.88725 0.0 0
M V30 25 C 13.2054 -5.62553 0.0 0
M V30 26 C 12.703 -6.49618 0.0 0
M V30 27 C 11.1957 -5.63171 0.0 0
M V30 28 C 11.7032 -6.49839 0.0 0
M V30 29 C 7.08141 -1.39999 0.0 0
M V30 30 C 7.10131 -6.38508 0.0 0
M V30 31 P 10.1957 -5.63489 0.0 0
M V30 32 P 10.2 -2.14953 0.0 0
M V30 33 C 3.64076 -6.41494 0.0 0
M V30 34 C 2.77704 -7.91425 0.0 0
M V30 35 C 3.64115 -7.41565 0.0 0
M V30 36 C 1.90986 -7.41436 0.0 0
M V30 37 C 2.77012 -5.91305 0.0 0
M V30 38 C 1.90728 -6.41867 0.0 0
M V30 39 C 3.6189 -1.39995 0.0 0
M V30 40 C 3.61904 -0.39995 0.0 0
M V30 41 C 2.7528 -1.89982 0.0 0
M V30 42 C 1.88684 -1.3997 0.0 0
M V30 43 C 1.88699 -0.3997 0.0 0
M V30 44 C 2.75309 0.100175 0.0 0
M V30 45 C 10.1795 -6.52582 0.0 0
M V30 46 C 9.36191 -6.22582 0.0 0
M V30 47 C 10.2088 -1.35861 0.0 0
M V30 48 C 9.51619 -1.48361 0.0 0
M V30 49 C 11.1458 -6.78674 0.0 0
M V30 50 C 11.4035 -7.74855 0.0 0
M V30 51 C 10.699 -8.45844 0.0 0
M V30 52 C 9.72891 -8.19648 0.0 0
M V30 53 C 9.47205 -7.22925 0.0 0
M V30 54 C 10.0682 -6.93491 0.0 0
M V30 55 C 9.81051 -7.89671 0.0 0
M V30 56 C 8.84547 -8.15925 0.0 0
M V30 57 C 8.13632 -7.44733 0.0 0
M V30 58 C 8.39749 -6.48126 0.0 0
M V30 59 C 9.50249 -0.649511 0.0 0
M V30 60 C 9.76023 0.312289 0.0 0
M V30 61 C 10.7253 0.57483 0.0 0
M V30 62 C 11.4344 -0.137093 0.0 0
M V30 63 C 11.1733 -1.10316 0.0 0
M V30 64 C 8.54994 -1.22268 0.0 0
M V30 65 C 8.29224 -0.260867 0.0 0
M V30 66 C 8.99672 0.449019 0.0 0
M V30 67 C 9.96683 0.187053 0.0 0
M V30 68 C 10.2237 -0.780174 0.0 0
M V30 69 C 13.9146 -3.18014 0.0 0
M V30 70 C 13.9146 -4.59436 0.0 0
M V30 71 Cu 8.575 -3.95 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 8 7
M V30 8 1 5 9
M V30 9 1 7 6
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 8 13
M V30 14 1 11 7
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 2 17 15
M V30 18 2 18 16
M V30 19 1 15 19
M V30 20 1 16 17
M V30 21 2 19 20
M V30 22 1 20 18
M V30 23 1 15 21
M V30 24 1 21 22
M V30 25 2 22 23
M V30 26 1 23 24
M V30 27 1 24 19
M V30 28 2 26 25
M V30 29 1 22 27
M V30 30 1 25 23
M V30 31 2 27 28
M V30 32 1 28 26
M V30 33 1 2 29
M V30 34 1 12 30
M V30 35 1 27 31
M V30 36 1 17 32
M V30 37 1 13 33
M V30 38 2 35 33
M V30 39 2 36 34
M V30 40 1 33 37
M V30 41 1 34 35
M V30 42 2 37 38
M V30 43 1 38 36
M V30 44 1 1 39
M V30 45 1 39 40
M V30 46 2 39 41
M V30 47 1 41 42
M V30 48 2 42 43
M V30 49 1 43 44
M V30 50 2 40 44
M V30 51 1 31 45
M V30 52 1 31 46
M V30 53 1 32 47
M V30 54 1 32 48
M V30 55 2 49 45
M V30 56 1 50 49
M V30 57 2 51 50
M V30 58 1 52 51
M V30 59 2 53 52
M V30 60 1 45 53
M V30 61 2 54 46
M V30 62 1 55 54
M V30 63 2 56 55
M V30 64 1 57 56
M V30 65 2 58 57
M V30 66 1 46 58
M V30 67 2 59 47
M V30 68 1 60 59
M V30 69 2 61 60
M V30 70 1 62 61
M V30 71 2 63 62
M V30 72 1 47 63
M V30 73 2 64 48
M V30 74 1 65 64
M V30 75 2 66 65
M V30 76 1 67 66
M V30 77 2 68 67
M V30 78 1 48 68
M V30 79 1 24 69
M V30 80 1 24 70
M V30 81 8 4 71
M V30 82 8 11 71
M V30 83 8 32 71
M V30 84 8 31 71
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 SUP 1 ATOMS=(6 45 49 50 51 52 53) BRKXYZ=(9 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M V30 0.000000) LABEL=Ph
M V30 2 SUP 2 ATOMS=(6 46 54 55 56 57 58) BRKXYZ=(9 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M V30 0.000000) LABEL=Ph
M V30 3 SUP 3 ATOMS=(6 47 59 60 61 62 63) BRKXYZ=(9 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M V30 0.000000) LABEL=Ph
M V30 4 SUP 4 ATOMS=(6 48 64 65 66 67 68) BRKXYZ=(9 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M V30 0.000000) LABEL=Ph
M V30 END SGROUP
M V30 END CTAB
M END
</chemform>

=== Investigation===
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

===Sacrificial electron donor ===
{{#moleculelink:|link=ZMANZCXQSJIPKH-UHFFFAOYSA-N|image=true}}{{#moleculelink:|link=VDFIVJSRRJXMAU-UHFFFAOYSA-N|image=true}}

Exploring the Full Potential of Photocatalytic Carbon Dioxide Reduction Using a Dinuclear Re2Cl2 Complex Assisted by Various Photosensitizers

2023-11-17T11:41:54Z

Helena: test12

{{BaseTemplate}}
[[Category:Photocatalytic CO2 conversion to CO]]
{{#doiinfobox: 10.1002/cptc.202100034}}{{FaultyMolecule}}

===Catalyst===
{{#moleculelink:|link=SPPICNUXBVPFDY-UHFFFAOYSA-N|image=true}}

===Photosensitizer===
<chemform smiles="C1C(F)=C2C3N(~[Ir]4(~N5C(C6C~4=CC(F)=CC=6F)=CC=CC=5)4(~N5=C(C6C~4=CC(F)=CC=6F)C=CC=C5)~C2=CC=1F)=CC=CC=3" inchi="1S/3C11H6F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1-4,6-7H;" inchikey="GFSFWLGQTIKUOK-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-07282313512D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 43 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.78642 -2.68028 0.0 0
M V30 2 C 5.14056 -2.59641 0.0 0
M V30 3 C 4.39175 -2.33383 0.0 0
M V30 4 C 5.39789 -3.41526 0.0 0
M V30 5 C 3.76842 -3.42982 0.0 0
M V30 6 C 4.4835 -3.8551 0.0 0
M V30 7 C 3.73664 -5.01965 0.0 0
M V30 8 N 5.35444 -4.97348 0.0 0
M V30 9 C 4.43228 -4.54824 0.0 0
M V30 10 C 5.10543 -5.79993 0.0 0
M V30 11 C 3.73151 -5.76259 0.0 0
M V30 12 C 4.36622 -6.08796 0.0 0
M V30 13 C 7.2832 -0.940455 0.0 0
M V30 14 C 8.61297 -0.965021 0.0 0
M V30 15 C 7.92272 -0.573435 0.0 0
M V30 16 C 8.61778 -1.82708 0.0 0
M V30 17 C 7.11761 -1.75223 0.0 0
M V30 18 N 7.71814 -2.34174 0.0 0
M V30 19 C 9.29248 -2.2044 0.0 0
M V30 20 C 10.7832 -2.21732 0.0 0
M V30 21 C 10.1139 -1.82797 0.0 0
M V30 22 C 10.7529 -2.9821 0.0 0
M V30 23 C 9.17767 -3.18644 0.0 0
M V30 24 C 10.0599 -3.48219 0.0 0
M V30 25 C 7.08042 -6.4184 0.0 0
M V30 26 C 8.52181 -6.35762 0.0 0
M V30 27 C 7.66571 -5.87255 0.0 0
M V30 28 C 8.55837 -7.19865 0.0 0
M V30 29 C 7.2437 -7.22819 0.0 0
M V30 30 C 7.88629 -7.59686 0.0 0
M V30 31 N 8.9695 -5.08761 0.0 0
M V30 32 C 10.4599 -5.2986 0.0 0
M V30 33 C 9.78563 -4.80293 0.0 0
M V30 34 C 10.4979 -6.05696 0.0 0
M V30 35 C 9.06602 -6.07601 0.0 0
M V30 36 C 9.83633 -6.43736 0.0 0
M V30 37 F 2.73044 -3.85065 0.0 0
M V30 38 F 4.16936 -1.18429 0.0 0
M V30 39 F 10.3333 -0.706651 0.0 0
M V30 40 F 15.5714 -5.16166 0.0 0
M V30 41 F 6.43004 -7.92497 0.0 0
M V30 42 F 9.53926 -7.8578 0.0 0
M V30 43 Ir 7.32951 -4.1406 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 2 21 19
M V30 20 2 22 20
M V30 21 1 19 23
M V30 22 1 20 21
M V30 23 2 23 24
M V30 24 1 24 22
M V30 25 2 27 25
M V30 26 2 28 26
M V30 27 1 25 29
M V30 28 1 26 27
M V30 29 2 29 30
M V30 30 1 30 28
M V30 31 1 33 31
M V30 32 1 34 32
M V30 33 2 31 35
M V30 34 2 32 33
M V30 35 1 35 36
M V30 36 2 36 34
M V30 37 1 6 9
M V30 38 1 26 35
M V30 39 1 16 19
M V30 40 1 5 37
M V30 41 1 3 38
M V30 42 1 21 39
M V30 43 1 22 40
M V30 44 1 29 41
M V30 45 1 28 42
M V30 46 8 4 43
M V30 47 8 8 43
M V30 48 8 27 43
M V30 49 8 31 43
M V30 50 8 23 43
M V30 51 8 18 43
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C(C1=CC=CC=C1)1C2C=CC3C(C4C=CC=CC=4)=CC(C)=N4~[Cu]5(~P(C6C=CC=CC=6)(C6C=CC=CC=6)C6=CC=CC7C(C)(C)C8=CC=CC(P~5(C5C=CC=CC=5)C5C=CC=CC=5)=C8OC=76)~N(C=2C=34)=C(C)C=1" inchi="1S/C39H32OP2.C26H20N2.Cu/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;/h3-28H,1-2H3;3-16H,1-2H3;" inchikey="QMNAUMUCEDJLKG-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-12202211182D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 71 84 4 0 0
M V30 BEGIN ATOM
M V30 1 C 4.48485 -1.90007 0.0 0
M V30 2 C 6.21515 -1.89959 0.0 0
M V30 3 C 5.35164 -1.39997 0.0 0
M V30 4 N 6.21515 -2.90053 0.0 0
M V30 5 C 4.48485 -2.90502 0.0 0
M V30 6 C 5.35382 -3.40003 0.0 0
M V30 7 C 5.35895 -4.39702 0.0 0
M V30 8 C 4.49572 -4.90243 0.0 0
M V30 9 C 3.61817 -3.41245 0.0 0
M V30 10 C 3.63003 -4.41182 0.0 0
M V30 11 N 6.22528 -4.89093 0.0 0
M V30 12 C 6.23165 -5.89144 0.0 0
M V30 13 C 4.50212 -5.90694 0.0 0
M V30 14 C 5.37387 -6.39621 0.0 0
M V30 15 C 11.7001 -3.01693 0.0 0
M V30 16 C 11.6996 -1.28663 0.0 0
M V30 17 C 11.2 -2.15014 0.0 0
M V30 18 C 12.7006 -1.28663 0.0 0
M V30 19 C 12.7051 -3.01693 0.0 0
M V30 20 C 13.2001 -2.14796 0.0 0
M V30 21 O 11.1976 -3.88725 0.0 0
M V30 22 C 11.7001 -4.75757 0.0 0
M V30 23 C 12.705 -4.75757 0.0 0
M V30 24 C 13.2075 -3.88725 0.0 0
M V30 25 C 13.2054 -5.62553 0.0 0
M V30 26 C 12.703 -6.49618 0.0 0
M V30 27 C 11.1957 -5.63171 0.0 0
M V30 28 C 11.7032 -6.49839 0.0 0
M V30 29 C 7.08141 -1.39999 0.0 0
M V30 30 C 7.10131 -6.38508 0.0 0
M V30 31 P 10.1957 -5.63489 0.0 0
M V30 32 P 10.2 -2.14953 0.0 0
M V30 33 C 3.64076 -6.41494 0.0 0
M V30 34 C 2.77704 -7.91425 0.0 0
M V30 35 C 3.64115 -7.41565 0.0 0
M V30 36 C 1.90986 -7.41436 0.0 0
M V30 37 C 2.77012 -5.91305 0.0 0
M V30 38 C 1.90728 -6.41867 0.0 0
M V30 39 C 3.6189 -1.39995 0.0 0
M V30 40 C 3.61904 -0.39995 0.0 0
M V30 41 C 2.7528 -1.89982 0.0 0
M V30 42 C 1.88684 -1.3997 0.0 0
M V30 43 C 1.88699 -0.3997 0.0 0
M V30 44 C 2.75309 0.100175 0.0 0
M V30 45 C 10.1795 -6.52582 0.0 0
M V30 46 C 9.36191 -6.22582 0.0 0
M V30 47 C 10.2088 -1.35861 0.0 0
M V30 48 C 9.51619 -1.48361 0.0 0
M V30 49 C 11.1458 -6.78674 0.0 0
M V30 50 C 11.4035 -7.74855 0.0 0
M V30 51 C 10.699 -8.45844 0.0 0
M V30 52 C 9.72891 -8.19648 0.0 0
M V30 53 C 9.47205 -7.22925 0.0 0
M V30 54 C 10.0682 -6.93491 0.0 0
M V30 55 C 9.81051 -7.89671 0.0 0
M V30 56 C 8.84547 -8.15925 0.0 0
M V30 57 C 8.13632 -7.44733 0.0 0
M V30 58 C 8.39749 -6.48126 0.0 0
M V30 59 C 9.50249 -0.649511 0.0 0
M V30 60 C 9.76023 0.312289 0.0 0
M V30 61 C 10.7253 0.57483 0.0 0
M V30 62 C 11.4344 -0.137093 0.0 0
M V30 63 C 11.1733 -1.10316 0.0 0
M V30 64 C 8.54994 -1.22268 0.0 0
M V30 65 C 8.29224 -0.260867 0.0 0
M V30 66 C 8.99672 0.449019 0.0 0
M V30 67 C 9.96683 0.187053 0.0 0
M V30 68 C 10.2237 -0.780174 0.0 0
M V30 69 C 13.9146 -3.18014 0.0 0
M V30 70 C 13.9146 -4.59436 0.0 0
M V30 71 Cu 8.575 -3.95 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 8 7
M V30 8 1 5 9
M V30 9 1 7 6
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 8 13
M V30 14 1 11 7
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 2 17 15
M V30 18 2 18 16
M V30 19 1 15 19
M V30 20 1 16 17
M V30 21 2 19 20
M V30 22 1 20 18
M V30 23 1 15 21
M V30 24 1 21 22
M V30 25 2 22 23
M V30 26 1 23 24
M V30 27 1 24 19
M V30 28 2 26 25
M V30 29 1 22 27
M V30 30 1 25 23
M V30 31 2 27 28
M V30 32 1 28 26
M V30 33 1 2 29
M V30 34 1 12 30
M V30 35 1 27 31
M V30 36 1 17 32
M V30 37 1 13 33
M V30 38 2 35 33
M V30 39 2 36 34
M V30 40 1 33 37
M V30 41 1 34 35
M V30 42 2 37 38
M V30 43 1 38 36
M V30 44 1 1 39
M V30 45 1 39 40
M V30 46 2 39 41
M V30 47 1 41 42
M V30 48 2 42 43
M V30 49 1 43 44
M V30 50 2 40 44
M V30 51 1 31 45
M V30 52 1 31 46
M V30 53 1 32 47
M V30 54 1 32 48
M V30 55 2 49 45
M V30 56 1 50 49
M V30 57 2 51 50
M V30 58 1 52 51
M V30 59 2 53 52
M V30 60 1 45 53
M V30 61 2 54 46
M V30 62 1 55 54
M V30 63 2 56 55
M V30 64 1 57 56
M V30 65 2 58 57
M V30 66 1 46 58
M V30 67 2 59 47
M V30 68 1 60 59
M V30 69 2 61 60
M V30 70 1 62 61
M V30 71 2 63 62
M V30 72 1 47 63
M V30 73 2 64 48
M V30 74 1 65 64
M V30 75 2 66 65
M V30 76 1 67 66
M V30 77 2 68 67
M V30 78 1 48 68
M V30 79 1 24 69
M V30 80 1 24 70
M V30 81 8 4 71
M V30 82 8 11 71
M V30 83 8 32 71
M V30 84 8 31 71
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 SUP 1 ATOMS=(6 45 49 50 51 52 53) BRKXYZ=(9 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M V30 0.000000) LABEL=Ph
M V30 2 SUP 2 ATOMS=(6 46 54 55 56 57 58) BRKXYZ=(9 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M V30 0.000000) LABEL=Ph
M V30 3 SUP 3 ATOMS=(6 47 59 60 61 62 63) BRKXYZ=(9 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M V30 0.000000) LABEL=Ph
M V30 4 SUP 4 ATOMS=(6 48 64 65 66 67 68) BRKXYZ=(9 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M V30 0.000000) LABEL=Ph
M V30 END SGROUP
M V30 END CTAB
M END
</chemform>

=== Investigation===
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}

===Sacrificial electron donor ===
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