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

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DOI 10.1002/cptc.202100034
Authors Robin Giereth, Martin Obermeier, Lukas Forschner, Michael Karnahl, Matthias Schwalbe, Stefanie Tschierlei,
Submitted 17.03.2021
Published online 02.05.2021
Licenses http://creativecommons.org/licenses/by-nc-nd/4.0/, http://doi.wiley.com/10.1002/tdm_license_1.1,
Subjects Organic Chemistry, Physical and Theoretical Chemistry, Analytical Chemistry
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[[Category:Photocatalytic CO2 conversion to CO]]
[[Category:Photocatalytic CO2 conversion to CO]]
{{#doiinfobox: 10.1002/cptc.202100034}}
{{#doiinfobox: 10.1002/cptc.202100034}}
{{#literature:|doi=doi.org/10.1002/cptc.202100034}}
===Investigation===
=== Investigation ===
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table 1}}
=== Photosensitizer ===
 
=== Catalyst ===
<chemform smiles="" inchi="" inchikey="SPPICNUXBVPFDY-UHFFFAOYSA-N " height="200px" width="300px" float="none"></chemform>
 
===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/3C11H7F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1-7H;" inchikey="MOOGSZYNGDRAGN-UHFFFAOYSA-N" height="200px" width="300px" float="none">
<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/3C11H7F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1-7H;" inchikey="MOOGSZYNGDRAGN-UHFFFAOYSA-N" height="200px" width="300px" float="none">
   -INDIGO-12202211112D
   -INDIGO-12202211112D
Line 298: Line 300:
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
</chemform>Ir(dFppy)3, Cu(xant)(bcp)
</chemform>
 
=== Catalyst ===
<chemform smiles="C12C(C)(C)C3C=C(C(C)(C)C)C=C(C4C=N5~[Re](~C#O)(~C#O)(~C#O)(~Cl)~N6=CC=CC=C6C5=CC=4)C=3OC1=C(C1C=CC3C4C=CC=CN=4~[Re](~C#O)(~C#O)(~C#O)(~Cl)~N=3C=1)C=C(C(C)(C)C)C=2" inchi="1S/C43H42N4O.6CHO.2ClH.2Re/c1-41(2,3)29-21-31(27-15-17-37(46-25-27)35-13-9-11-19-44-35)39-33(23-29)43(7,8)34-24-30(42(4,5)6)22-32(40(34)48-39)28-16-18-38(47-26-28)36-14-10-12-20-45-36;6*1-2;;;;/h9-26H,1-8H3;6*1H;2*1H;;" inchikey="SPPICNUXBVPFDY-UHFFFAOYSA-N" height="200px" width="300px" float="none">
  -INDIGO-12202211262D


  0  0  0  0  0  0  0  0  0  0  0 V3000
===Sacrificail electron donor===
M  V30 BEGIN CTAB
<chemform smiles="" inchi="" inchikey="ZMANZCXQSJIPKH-UHFFFAOYSA-N" height="200px" width="300px" float="none"></chemform><chemform smiles="" inchi="" inchikey="VDFIVJSRRJXMAU-UHFFFAOYSA-N" height="200px" width="300px" float="none"></chemform>
M  V30 COUNTS 64 72 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.27809 -3.26711 0.0 0
M  V30 2 C 5.27573 -3.26804 0.0 0
M  V30 3 C 3.77762 -2.40027 0.0 0
M  V30 4 C 5.27386 -1.53123 0.0 0
M  V30 5 C 4.27381 -1.53702 0.0 0
M  V30 6 C 3.77845 -4.13064 0.0 0
M  V30 7 C 4.27644 -4.99509 0.0 0
M  V30 8 C 5.27408 -4.99602 0.0 0
M  V30 9 O 5.77372 -4.13249 0.0 0
M  V30 10 C 5.77 -5.85812 0.0 0
M  V30 11 C 5.27052 -6.72198 0.0 0
M  V30 12 C 3.77496 -5.8624 0.0 0
M  V30 13 C 4.27789 -6.72325 0.0 0
M  V30 14 C 6.77 -5.85923 0.0 0
M  V30 15 C 8.26767 -4.99266 0.0 0
M  V30 16 C 7.27003 -4.9924 0.0 0
M  V30 17 C 8.76872 -5.85916 0.0 0
M  V30 18 C 7.27306 -6.7292 0.0 0
M  V30 19 N 8.27311 -6.72274 0.0 0
M  V30 20 C 9.76872 -5.85753 0.0 0
M  V30 21 C 11.2664 -4.99095 0.0 0
M  V30 22 C 10.2687 -4.99069 0.0 0
M  V30 23 C 11.7674 -5.85746 0.0 0
M  V30 24 N 10.2718 -6.7275 0.0 0
M  V30 25 C 11.2718 -6.72104 0.0 0
M  V30 26 C 3.78068 -7.59088 0.0 0
M  V30 27 C 2.78069 -7.59409 0.0 0
M  V30 28 C 4.28346 -8.45529 0.0 0
M  V30 29 C 3.07134 -3.42353 0.0 0
M  V30 30 C 3.07134 -4.83774 0.0 0
M  V30 31 C 3.77047 -0.672934 0.0 0
M  V30 32 C 3.28068 -8.4569 0.0 0
M  V30 33 C 4.26713 0.195014 0.0 0
M  V30 34 C 2.80454 -0.931753 0.0 0
M  V30 35 C 3.27047 0.193092 0.0 0
M  V30 36 C 5.77634 -2.40154 0.0 0
M  V30 37 N 8.2767 -1.55981 0.0 0
M  V30 38 C 8.27719 -3.29011 0.0 0
M  V30 39 C 8.77681 -2.4266 0.0 0
M  V30 40 C 7.27625 -3.29011 0.0 0
M  V30 41 C 7.27176 -1.55981 0.0 0
M  V30 42 C 6.77675 -2.42878 0.0 0
M  V30 43 C 9.77681 -2.42721 0.0 0
M  V30 44 C 11.2745 -1.56063 0.0 0
M  V30 45 N 10.2768 -1.56037 0.0 0
M  V30 46 C 11.7755 -2.42714 0.0 0
M  V30 47 C 10.2799 -3.29718 0.0 0
M  V30 48 C 11.2799 -3.29072 0.0 0
M  V30 49 Re 9.275 -8.225 0.0 0
M  V30 50 Re 9.25 -0.175 0.0 0
M  V30 51 Cl 7.45 -8.975 0.0 0
M  V30 52 C 8.725 -10.175 0.0 0
M  V30 53 C 11.4 -8.4 0.0 0
M  V30 54 C 11.05 -9.775 0.0 0
M  V30 55 O 12.3659 -8.65882 0.0 0
M  V30 56 O 11.916 -10.275 0.0 0
M  V30 57 O 8.46618 -11.1409 0.0 0
M  V30 58 C 11.275 0.425 0.0 0
M  V30 59 C 10.2 2.025 0.0 0
M  V30 60 C 8.175 2.125 0.0 0
M  V30 61 Cl 7.525 0.425 0.0 0
M  V30 62 O 8.175 3.125 0.0 0
M  V30 63 O 10.2 3.025 0.0 0
M  V30 64 O 12.275 0.425 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 3 1
M  V30 2 1 1 2
M  V30 3 2 4 5
M  V30 4 1 5 3
M  V30 5 1 1 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 9 1 9 2
M  V30 10 2 11 10
M  V30 11 1 7 12
M  V30 12 1 10 8
M  V30 13 2 12 13
M  V30 14 1 13 11
M  V30 15 1 10 14
M  V30 16 2 16 14
M  V30 17 2 17 15
M  V30 18 1 14 18
M  V30 19 1 15 16
M  V30 20 2 18 19
M  V30 21 1 19 17
M  V30 22 1 17 20
M  V30 23 2 22 20
M  V30 24 2 23 21
M  V30 25 1 20 24
M  V30 26 1 21 22
M  V30 27 2 24 25
M  V30 28 1 25 23
M  V30 29 1 13 26
M  V30 30 1 26 27
M  V30 31 1 26 28
M  V30 32 1 6 29
M  V30 33 1 6 30
M  V30 34 1 5 31
M  V30 35 1 26 32
M  V30 36 1 31 33
M  V30 37 1 31 34
M  V30 38 1 31 35
M  V30 39 1 36 4
M  V30 40 2 2 36
M  V30 41 2 39 37
M  V30 42 2 40 38
M  V30 43 1 37 41
M  V30 44 1 38 39
M  V30 45 2 41 42
M  V30 46 1 42 40
M  V30 47 1 36 42
M  V30 48 1 39 43
M  V30 49 2 45 43
M  V30 50 2 46 44
M  V30 51 1 43 47
M  V30 52 1 44 45
M  V30 53 2 47 48
M  V30 54 1 48 46
M  V30 55 8 19 49
M  V30 56 8 24 49
M  V30 57 3 53 55
M  V30 58 3 54 56
M  V30 59 3 52 57
M  V30 60 8 51 49
M  V30 61 8 52 49
M  V30 62 8 54 49
M  V30 63 8 53 49
M  V30 64 8 37 50
M  V30 65 8 45 50
M  V30 66 3 60 62
M  V30 67 3 59 63
M  V30 68 3 58 64
M  V30 69 8 61 50
M  V30 70 8 60 50
M  V30 71 8 59 50
M  V30 72 8 58 50
M  V30 END BOND
M  V30 END CTAB
M  END
</chemform>(Re(bpy)(CO)3Cl)2xant ? (Re2Cl2 in publication)

Revision as of 10:01, 3 May 2023


Investigation

  1. REDIRECT Optimizations of the conditions
Investigation-Name: Table 1

Catalyst

Photosensitizer

Ir(dFppy)3

Sacrificail electron donor

TEA BIH

Investigations

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