ChemWiki - User contributions [en]

ChemWiki:About

2023-07-31T14:06:19Z

ChN: Created page with "== Aim == The Chemistry Knowledge Base is a Semantic MediWiki powered, collaborative and innovative new way to present knowledge and give an overview over the current state o..."

== Aim ==

The Chemistry Knowledge Base is a Semantic MediWiki powered, collaborative and innovative new way to present knowledge and give an overview over the current state of research in the field of chemistry. Through automatic processes and curation of the community, information from scientific work is to be linked with the associated research data and integrated into the scientific context. A future-oriented concept is to be created that enables the tailor-made, efficient provision of information for cutting-edge research and provides a suitable AI toolbox for extracting and modeling it from unstructured texts (e.g. publications).

== Structure ==

=== Topic Pages ===
Topic pages provide a topical summary of a research area.

=== Publication Pages ===
Publication pages contain data from publications or datasets. They are where the main input into the wiki takes place

=== Investigations ===
Investigations are tables of structured data that was input through the investigation forms. Each individual line is called an experiment.

=== Molecule pages ===

Molecule pages are generated from molecules drawn in the wiki through the [[Help:Getting Started|chemform template]].

== Acknowledgements ==

The first phase of the project was a collaboration of the KIT Library, the ComPlat group at IBCS and the AIFB at the Karlsruhe Institute of Technology. 
Funding was provided by KIT Strategiefonds.

== Contact ==

For more information, contact Dr. Nicole Jung 
GitHub: https://github.com/ComPlat/ChemistryKnowledgeBase (private)

Template:Cyclic Voltammetry experiments

2023-07-28T14:09:04Z

ChN:

<noinclude>
This is the Cyclic Voltammetry experiments template.
</noinclude>
<includeonly><table class="wikitable" title="">
<tr>
<th title="analyte (catalyst)">analyte</th>
<th title="analyte concentration [mM]">anl conc [mM]</th>
<th title="Redox potential">redox potential</th>
<th title="solvent">solvent</th>
<th title="solvent volume [ml]" property="hidden">solvent vol [ml]</th>
<th title="electrolyte">electrolyte</th>
<th title="electrolyte concentration [M]" property="hidden">el conc [M]</th>
<th title="internal reference compound">int ref comp</th>
<th title="scan rate [mV s-1]" property="hidden">scan rate [mv s-1]</th>
<th title="scan number">scan number</th>
<th title="potential window" property="hidden">potential window</th>
<th title="scan direction" property="hidden">scan dir</th>
<th title="gas (atmosphere)">gas</th>
<th title="temperature [° C]" property="hidden">T [° C]</th>
<th title="condition (wavelength [nm] or dark)" property="hidden">condition [nm]</th>
<th title="working electrode (type and material)">WE</th>
<th title="WE surface area [mm²]" property="hidden">WE surface area [mm²]</th>
<th title="counter electrode" property="hidden">CE</th>
<th title="reference electrode">RE</th>
<th property="hidden" title="include">include</th>
</tr>
{{{experiments|}}}
</table>
{{#set: BelongsToPublication={{BASEPAGENAME}} }}
[[Category:Cyclic Voltammetry experiments]]
[[Category:Assay]]
[[Category:Investigation]]</includeonly>

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

2023-07-28T11:55:08Z

ChN:

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

==== 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 ====

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

2023-07-28T11:54:30Z

ChN: ChN moved page A Dinuclear Cobalt Cryptate as a Homogeneous Photocatalyst for Highly Selective and Efficient Visible-Light Driven CO2 Reduction to CO in CH3CN/H2O Solution to A Dinuclear Cobalt Cryptate as a Homogeneous Photocatalyst for Highly Selective and Efficient Visible-Light Driven CO2 Reduction to CO in CH3CN-H2O Solution without leaving a redirect: forbidden character in title

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

Template:FaultyMolecule

2023-07-28T09:54:11Z

ChN:

<noinclude>
Faulty molecule
Params:
* date=YYYY-mm-dd
* author=Hans
</noinclude>
<includeonly>{{MissingItem
|date={{{date|}}}
|author={{{author|}}}
|text=A molecule on this page has a mistake in its structure or is missing a part. Please edit the structure or redraw a new molecule using the [[Help:ReplaceMolecule|replace molecule workflow]].
|type=molecules
|name=Faulty molecule
|icon=File:WikiTemplate_chemistry.png
}}</includeonly>

Template:FaultyMolecule

2023-07-28T09:53:32Z

ChN: adjust wording and link

<noinclude>
Faulty molecule
Params:
* date=YYYY-mm-dd
* author=Hans
</noinclude>
<includeonly>{{MissingItem
|date={{{date|}}}
|author={{{author|}}}
|text=A molecule on this page has a mistake in its structure or is missing a part. Please edit the structure or redraw a new molecule using the [[Help:ReplaceMolecule|Replace molecule workflow]].
|type=molecules
|name=Faulty molecule
|icon=File:WikiTemplate_chemistry.png
}}</includeonly>

Template:MissingMolecule

2023-07-28T09:52:40Z

ChN: correct link

<noinclude>
Missing molecule
Params:
* date=YYYY-mm-dd
* author=Hans
</noinclude>
<includeonly>{{MissingItem
|date={{{date|}}}
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|type=molecules
|name=Missing molecule
|icon=File:WikiTemplate_chemistry.png
}}</includeonly>

Template:WrongMolecule

2023-07-28T09:51:44Z

ChN: correct link

<noinclude>
Wrong molecule
Params:
* date=YYYY-mm-dd
* author=Hans
</noinclude>
<includeonly>{{MissingItem
|date={{{date|}}}
|author={{{author|}}}
|text=This page references the wrong molecule. Please select the correct molecule or add it with the [[Help:Getting_Started#Chemical_formula|chemical formula]] template.
|type=molecules
|name=Wrong molecule
|icon=File:WikiTemplate_chemistry.png
}}</includeonly>

Template:MissingMolecule

2023-07-28T09:51:00Z

ChN: correct link

<noinclude>
Missing molecule
Params:
* date=YYYY-mm-dd
* author=Hans
</noinclude>
<includeonly>{{MissingItem
|date={{{date|}}}
|author={{{author|}}}
|text=This page is missing a molecule. It may reference a chemical substance that is not present in this wiki. Please use the [Help:Getting_Started#Chemical_formula|chemical formula]] template to draw and add it.
|type=molecules
|name=Missing molecule
|icon=File:WikiTemplate_chemistry.png
}}</includeonly>

Template:DOINeeded

2023-07-28T09:49:35Z

ChN:

<noinclude>
DOINeeded
Params:
* date=YYYY-mm-dd
* author=Hans
</noinclude>
<includeonly>{{MissingItem
|date={{{date|}}}
|author={{{author|}}}
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|type=doi
|name=DOI needed
|icon=File:WikiTemplate_open-book.png
}}</includeonly>

Template:MissingInvestigation

2023-07-28T09:48:50Z

ChN:

<noinclude>
Missing investigation
Params:
* date=YYYY-mm-dd
* author=Hans
</noinclude>
<includeonly>{{MissingItem
|date={{{date|}}}
|author={{{author|}}}
|text=This page about a publication or dataset does not currently include an [[Help:Getting_Started#Investigation|investigation]]. Please add any experiments detailed in the publication or performed to obtain this dataset.
|type=investigation
|name=Missing investigation
|icon=File:WikiTemplate_experiment.png
}}</includeonly>

Template:FaultyMolecule

2023-07-28T09:38:58Z

ChN:

<noinclude>
Faulty molecule
Params:
* date=YYYY-mm-dd
* author=Hans
</noinclude>
<includeonly>{{MissingItem
|date={{{date|}}}
|author={{{author|}}}
|text=A molecule on this page has a mistake in its structure or is missing a part. Please edit the structure or redraw a new molecule using the [[Help:ReplaceMolecule]] template.
|type=molecules
|name=Faulty molecule
|icon=File:WikiTemplate_chemistry.png
}}</includeonly>

Toward Visible-Light Photochemical CO2‑to-CH4 Conversion in Aqueous Solutions Using Sensitized Molecular Catalysis/Cyclic voltammetry in various conditions

2023-07-27T12:54:57Z

ChN:

{{Cyclic Voltammetry experiments
|experiments={{Cyclic Voltammetry
|anl=Molecule:100670
|anl conc=0.5
|solv=Molecule:100530
|electrolyte=TBA(PF6)
|el conc=0.1
|scan rate=100
|gas=argon
|WE=glassy carbon
|WE area=7.07
|CE=platinum
|RE=SCE
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100670
|anl conc=0.5
|solv=Molecule:100530
|electrolyte=TBA(PF6)
|el conc=0.1
|scan rate=100
|gas=CO
|cond=dark
|WE=glassy carbon
|WE area=7.07
|CE=platinum
|RE=SCE
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100670
|anl conc=0.5
|solv=Molecule:100530
|electrolyte=TBA(PF6)
|el conc=0.1
|scan rate=100
|gas=CO
|cond=420, 60 min
|WE=glassy carbon
|WE area=7.07
|CE=platinum
|RE=SCE
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100670
|anl conc=0.5
|solv=Molecule:100530
|electrolyte=TBA(PF6)
|el conc=0.1
|scan rate=100
|gas=CO
|cond=420, 1 min
|WE=glassy carbon
|WE area=7.07
|CE=platinum
|RE=SCE
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100670
|anl conc=0.5
|solv=Molecule:100530
|electrolyte=TBA(PF6)
|el conc=0.1
|scan rate=100
|gas=CO
|cond=420, 60 min
|WE=glassy carbon
|WE area=7.07
|CE=platinum
|RE=SCE
|include=Yes
}}
}}

MediaWiki:Sidebar

2023-07-26T15:43:45Z

ChN:

* Authoring
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** Special:CreateNewPaper|Create a new Paper
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* Help
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** Help:Create new paper|Create new Paper
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** Special:Version|Wiki Version

MediaWiki:Sidebar

2023-07-26T15:42:32Z

ChN:

* Authoring
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MediaWiki:Sidebar

2023-07-26T15:42:08Z

ChN:

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

2023-07-26T15:02:07Z

ChN: Added CV investigation

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

==== Catalyst====
{{#moleculelink:|link=NRVILUOLTIKJEU-NGWNFTKISA-I|image=true}}

====Photosensitizer====
<chemform smiles="C1C=C2C3C([Ir+]4(N5C(C6N4=CC=CC=6)=CC=CC=5)4(N5C(C6C4=CC=CC=6)=CC=CC=5)N2=CC=1)=CC=CC=3" inchi="1S/2C11H9N.C10H8N2.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;/h2*1-9H;1-8H;/q;;;+1" inchikey="WEEPMIZXGXTKSO-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-01262315082D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 37 45 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.45797 -3.44045 0.0 0
M V30 2 C 5.96133 -3.36319 0.0 0
M V30 3 C 5.12223 -3.03828 0.0 0
M V30 4 N 6.18456 -4.17527 0.0 0
M V30 5 C 4.46811 -4.21322 0.0 0
M V30 6 C 5.26148 -4.65508 0.0 0
M V30 7 C 4.51917 -5.73215 0.0 0
M V30 8 C 6.22384 -5.76587 0.0 0
M V30 9 C 5.27077 -5.2974 0.0 0
M V30 10 C 6.0193 -6.57651 0.0 0
M V30 11 C 4.5162 -6.49701 0.0 0
M V30 12 C 5.18205 -6.90334 0.0 0
M V30 13 C 7.51732 -7.30385 0.0 0
M V30 14 C 8.97092 -7.39426 0.0 0
M V30 15 C 8.09356 -6.79102 0.0 0
M V30 16 C 8.96182 -8.29372 0.0 0
M V30 17 C 7.6068 -8.20544 0.0 0
M V30 18 C 8.27229 -8.63762 0.0 0
M V30 19 N 9.48753 -6.07146 0.0 0
M V30 20 C 11.0499 -6.53021 0.0 0
M V30 21 C 10.3685 -5.88703 0.0 0
M V30 22 C 10.9588 -7.31958 0.0 0
M V30 23 C 9.51277 -7.13327 0.0 0
M V30 24 C 10.258 -7.63524 0.0 0
M V30 25 C 7.60897 -1.47271 0.0 0
M V30 26 C 9.01802 -1.50872 0.0 0
M V30 27 C 8.3457 -1.08144 0.0 0
M V30 28 C 8.89639 -2.52314 0.0 0
M V30 29 C 7.45099 -2.43365 0.0 0
M V30 30 N 8.05713 -3.03115 0.0 0
M V30 31 C 9.48728 -2.84506 0.0 0
M V30 32 C 10.8821 -2.79881 0.0 0
M V30 33 C 10.2032 -2.4236 0.0 0
M V30 34 C 10.9119 -3.6346 0.0 0
M V30 35 N 9.37872 -3.98759 0.0 0
M V30 36 C 10.1731 -4.23891 0.0 0
M V30 37 Ir 7.92552 -4.9583 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 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 28 31
M V30 38 1 14 23
M V30 39 1 6 9
M V30 40 10 4 37
M V30 41 10 8 37
M V30 42 10 15 37
M V30 43 10 19 37
M V30 44 10 35 37
M V30 45 10 30 37
M V30 END BOND
M V30 END CTAB
M END
</chemform>{{#moleculelink:|link=UEEXRMUCXBPYOV-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]]

Toward Visible-Light Photochemical CO2‑to-CH4 Conversion in Aqueous Solutions Using Sensitized Molecular Catalysis/Cyclic voltammetry in various conditions

2023-07-26T15:00:40Z

ChN:

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|experiments={{Cyclic Voltammetry
|anl=Molecule:100487
|anl conc=0.5
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}}{{Cyclic Voltammetry
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|CE=platinum
|RE=SCE
|include=Yes
}}{{Cyclic Voltammetry
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|cond=420, 60 min
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|RE=SCE
|include=Yes
}}{{Cyclic Voltammetry
|anl=Molecule:100487
|anl conc=0.5
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}}{{Cyclic Voltammetry
|anl=Molecule:100487
|anl conc=0.5
|solv=Molecule:100530
|electrolyte=TBA(PF6)
|el conc=0.1
|scan rate=100
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|cond=420, 60 min
|WE=glassy carbon
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}}
}}

Toward Visible-Light Photochemical CO2‑to-CH4 Conversion in Aqueous Solutions Using Sensitized Molecular Catalysis/Cyclic voltammetry in various conditions

2023-07-26T14:59:33Z

ChN: Created page with "{{Cyclic Voltammetry experiments |experiments={{Cyclic Voltammetry |anl=Molecule:100487 |anl conc=0.5 |solv=Molecule:100530 |electrolyte=TBA(PF6) |el conc=0.1 |scan rate=100 |..."

{{Cyclic Voltammetry experiments
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|anl=Molecule:100487
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}}

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

2023-07-26T14:39:09Z

ChN: Added CV investigation

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

=== 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="C12C3N(~[Ru]4(~OC(=O)O~4)(~N=1C=CC=C2)1~N2C=CC=CC=2C2C=CC=CN=2~1)=CC=CC=3" 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);" inchikey="IFHMCSXTESYUKW-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-12122214192D

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 6.56741 -6.68319 0.0 0
M V30 2 C 8.11231 -6.66374 0.0 0
M V30 3 N 7.27159 -6.16192 0.0 0
M V30 4 C 8.03707 -7.70884 0.0 0
M V30 5 C 6.56426 -7.64408 0.0 0
M V30 6 C 7.25438 -8.11292 0.0 0
M V30 7 C 4.53118 -5.87604 0.0 0
M V30 8 C 5.94132 -6.45732 0.0 0
M V30 9 N 5.62526 -5.32717 0.0 0
M V30 10 C 5.3951 -7.26705 0.0 0
M V30 11 C 4.21463 -6.83191 0.0 0
M V30 12 C 4.663 -7.38484 0.0 0
M V30 13 C 4.1135 -3.04669 0.0 0
M V30 14 C 5.67958 -3.31686 0.0 0
M V30 15 C 4.90041 -2.7337 0.0 0
M V30 16 N 5.75336 -4.35759 0.0 0
M V30 17 C 4.01212 -3.97499 0.0 0
M V30 18 C 4.86237 -4.70365 0.0 0
M V30 19 C 6.35435 -2.08934 0.0 0
M V30 20 C 7.92555 -2.17068 0.0 0
M V30 21 C 7.10211 -1.68986 0.0 0
M V30 22 C 8.00648 -3.2044 0.0 0
M V30 23 C 6.41645 -3.04684 0.0 0
M V30 24 N 7.24402 -3.65388 0.0 0
M V30 25 Ru 7.016 -4.96602 0.0 0
M V30 26 O 7.88207 -4.26835 0.0 0
M V30 27 O 7.92258 -5.58581 0.0 0
M V30 28 C 8.60103 -4.9236 0.0 0
M V30 29 O 9.63033 -4.89734 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 14 23
M V30 26 1 8 1
M V30 27 8 16 25
M V30 28 8 24 25
M V30 29 8 9 25
M V30 30 8 3 25
M V30 31 1 26 28
M V30 32 1 27 28
M V30 33 2 28 29
M V30 34 8 26 25
M V30 35 8 27 25
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CN2~[Ru](~C#O)(~O([H])[H])3(~N4C=CC=CC=4C4N~3=CC=CC=4)~N3C=CC=CC=3C=2C=1" inchi="1S/2C10H8N2.CHO.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;;/h2*1-8H;1H;1H2;" inchikey="FMDXTMDWVPGKIR-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-12122214222D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 30 35 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.88353 -4.01367 0.0 0
M V30 2 C 6.49467 -4.14508 0.0 0
M V30 3 C 5.65227 -3.62021 0.0 0
M V30 4 N 6.59022 -5.14567 0.0 0
M V30 5 C 4.85996 -4.97527 0.0 0
M V30 6 C 5.77142 -5.58913 0.0 0
M V30 7 C 7.02354 -2.8684 0.0 0
M V30 8 C 8.59272 -2.82698 0.0 0
M V30 9 C 7.73189 -2.39265 0.0 0
M V30 10 C 8.69857 -3.84084 0.0 0
M V30 11 C 7.09288 -3.79375 0.0 0
M V30 12 N 8.03247 -4.33342 0.0 0
M V30 13 C 7.38633 -7.34736 0.0 0
M V30 14 C 5.9367 -7.55656 0.0 0
M V30 15 C 6.74404 -7.90844 0.0 0
M V30 16 C 5.83442 -6.56452 0.0 0
M V30 17 N 7.19184 -6.19665 0.0 0
M V30 18 C 6.56743 -5.9679 0.0 0
M V30 19 C 8.07224 -7.64104 0.0 0
M V30 20 C 9.73101 -7.40193 0.0 0
M V30 21 N 8.69266 -7.00028 0.0 0
M V30 22 C 9.81611 -8.45063 0.0 0
M V30 23 C 8.18872 -8.58778 0.0 0
M V30 24 C 9.00146 -8.99698 0.0 0
M V30 25 Ru 7.94968 -5.63386 0.0 0
M V30 26 O 9.14992 -5.06621 0.0 0
M V30 27 C 8.91539 -6.04352 0.0 0
M V30 28 O 9.8811 -6.45318 0.0 0
M V30 29 H 9.37348 -4.08653 0.0 0
M V30 30 H 9.92585 -5.60144 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 13 19
M V30 26 1 2 11
M V30 27 8 4 25
M V30 28 8 12 25
M V30 29 8 17 25
M V30 30 8 21 25
M V30 31 8 25 26
M V30 32 8 25 27
M V30 33 3 27 28
M V30 34 1 26 29
M V30 35 1 26 30
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C=CC2C3C=CC=CN=3~[Ru](~O=C(C)C)(~O=C(C)C)(~N=2C=1)1~N2C=CC=CC=2C2=N~1C=CC=C2" inchi="1S/2C10H8N2.2C3H6O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-3(2)4;/h2*1-8H;2*1-2H3;" inchikey="XKWYLOQQGBAKSH-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-12122214242D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 33 38 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.50573 -7.17225 0.0 0
M V30 2 N 6.9043 -7.15427 0.0 0
M V30 3 C 6.25586 -6.82978 0.0 0
M V30 4 C 6.71695 -8.15589 0.0 0
M V30 5 C 5.33916 -7.91747 0.0 0
M V30 6 C 5.91415 -8.44484 0.0 0
M V30 7 C 7.21625 -8.56484 0.0 0
M V30 8 C 8.63947 -8.85859 0.0 0
M V30 9 N 8.10539 -8.15209 0.0 0
M V30 10 C 8.35907 -9.69478 0.0 0
M V30 11 C 7.06492 -9.39434 0.0 0
M V30 12 C 7.62204 -9.91148 0.0 0
M V30 13 C 5.16785 -4.55363 0.0 0
M V30 14 C 6.51757 -4.39553 0.0 0
M V30 15 C 5.78824 -4.09545 0.0 0
M V30 16 N 6.77993 -5.43252 0.0 0
M V30 17 C 5.28775 -5.36582 0.0 0
M V30 18 C 6.08144 -5.77947 0.0 0
M V30 19 C 6.75408 -3.2373 0.0 0
M V30 20 C 8.12511 -3.00621 0.0 0
M V30 21 C 7.36697 -2.72554 0.0 0
M V30 22 C 8.36806 -3.8652 0.0 0
M V30 23 C 7.00126 -4.13112 0.0 0
M V30 24 N 7.89367 -4.47269 0.0 0
M V30 25 Ru 8.41026 -6.26132 0.0 0
M V30 26 O 9.24511 -5.12874 0.0 0
M V30 27 O 9.35312 -7.066 0.0 0
M V30 28 C 10.4996 -4.95962 0.0 0
M V30 29 C 10.811 -3.86385 0.0 0
M V30 30 C 11.3172 -5.67688 0.0 0
M V30 31 C 10.0768 -7.51261 0.0 0
M V30 32 C 10.9279 -7.12955 0.0 0
M V30 33 C 10.103 -8.67227 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 14 23
M V30 26 1 4 7
M V30 27 2 26 28
M V30 28 1 28 29
M V30 29 1 28 30
M V30 30 2 27 31
M V30 31 1 31 32
M V30 32 1 31 33
M V30 33 8 24 25
M V30 34 8 16 25
M V30 35 8 2 25
M V30 36 8 9 25
M V30 37 8 27 25
M V30 38 8 26 25
M V30 END BOND
M V30 END CTAB
M END
</chemform>
=== Photosensitizer ===
<chemform smiles="C1C2C3C=CC=CC=3~[Ir]3(~C4C=CC=CC=4C4C=CC=CN=4~3)3(~N4=C(C5N~3=CC=CC=5)C=CC=C4)~N=2C=CC=1.P(F)(F)(F)(F)(F)F" inchi="1S/2C11H9N.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*1-9H;1-8H;;" inchikey="YLYRMTZQAOANTD-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-12122214422D

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 6.86521 -4.85135 0.0 0
M V30 2 C 8.41771 -4.69374 0.0 0
M V30 3 C 7.49611 -4.29588 0.0 0
M V30 4 C 8.59253 -5.83511 0.0 0
M V30 5 C 7.08033 -5.78282 0.0 0
M V30 6 N 8.11488 -6.23567 0.0 0
M V30 7 C 4.87789 -6.03109 0.0 0
M V30 8 C 6.55161 -6.17412 0.0 0
M V30 9 C 5.65652 -5.63903 0.0 0
M V30 10 C 6.70386 -7.1489 0.0 0
M V30 11 C 4.86086 -7.04446 0.0 0
M V30 12 C 5.78608 -7.65601 0.0 0
M V30 13 C 8.0594 -9.2927 0.0 0
M V30 14 C 9.54214 -8.78128 0.0 0
M V30 15 N 8.79341 -8.63647 0.0 0
M V30 16 C 9.81309 -9.84419 0.0 0
M V30 17 C 8.29341 -10.2043 0.0 0
M V30 18 C 9.12893 -10.5036 0.0 0
M V30 19 C 9.10181 -5.24617 0.0 0
M V30 20 C 10.8976 -5.28114 0.0 0
M V30 21 C 10.0549 -4.75542 0.0 0
M V30 22 C 10.8699 -6.15407 0.0 0
M V30 23 N 9.1085 -6.4053 0.0 0
M V30 24 C 10.0024 -6.72701 0.0 0
M V30 25 C 10.2008 -7.25568 0.0 0
M V30 26 C 11.7569 -8.07717 0.0 0
M V30 27 C 11.2664 -7.30936 0.0 0
M V30 28 C 11.2618 -8.93626 0.0 0
M V30 29 N 9.55862 -7.95889 0.0 0
M V30 30 C 10.1287 -8.92474 0.0 0
M V30 31 Ir 8.17869 -7.44217 0.0 0
M V30 32 C 5.79321 -8.64181 0.0 0
M V30 33 C 7.16286 -8.04741 0.0 0
M V30 34 C 6.53603 -7.81358 0.0 0
M V30 35 C 7.38389 -9.10258 0.0 0
M V30 36 C 6.06915 -9.51366 0.0 0
M V30 37 C 6.79378 -9.63661 0.0 0
M V30 38 P 14.3 -3.6 0.0 0
M V30 39 F 14.3 -2.6 0.0 0
M V30 40 F 15.3 -3.6 0.0 0
M V30 41 F 13.3 -3.6 0.0 0
M V30 42 F 14.3 -4.6 0.0 0
M V30 43 F 15.0071 -4.30711 0.0 0
M V30 44 F 13.5929 -2.89289 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 8 5
M V30 32 1 24 25
M V30 33 8 6 31
M V30 34 8 10 31
M V30 35 8 15 31
M V30 36 8 31 29
M V30 37 8 23 31
M V30 38 2 34 32
M V30 39 2 35 33
M V30 40 1 32 36
M V30 41 1 33 34
M V30 42 2 36 37
M V30 43 1 37 35
M V30 44 1 35 13
M V30 45 8 33 31
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>

=== Sacrificial electron donor ===
<chemform smiles="N(CCO)(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-12122214492D

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 N 8.45 -5.25 0.0 0
M V30 2 C 9.31603 -4.75 0.0 0
M V30 3 C 10.1821 -5.25 0.0 0
M V30 4 C 8.70882 -6.21593 0.0 0
M V30 5 C 8.20882 -7.08195 0.0 0
M V30 6 C 7.45 -5.25 0.0 0
M V30 7 C 6.975 -4.43397 0.0 0
M V30 8 O 5.97501 -4.43751 0.0 0
M V30 9 O 11.0481 -4.74998 0.0 0
M V30 10 O 8.70882 -7.94798 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 1 4
M V30 4 1 4 5
M V30 5 1 1 6
M V30 6 1 6 7
M V30 7 1 7 8
M V30 8 1 3 9
M V30 9 1 5 10
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}}

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

2023-07-26T14:37:48Z

ChN:

{{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:100607
|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
}}
}}

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

2023-07-26T14:36:52Z

ChN: Created page with "{{Cyclic Voltammetry experiments |experiments={{Cyclic Voltammetry |anl=Molecule:100610 |redox potential=0,-2.11 |solv=Molecule:100530 |electrolyte=TBABF4 |el conc=0.1 |scan r..."

{{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:100607
|redox potential=0.45,-1.97
|solv=Molecule:100530
|el conc=0.1
|scan rate=100
|WE=glassy carbon
|WE area=0.79
|CE=platinum
|RE=Ag/AgNO3 in MeCN
|include=Yes
}}
}}

Main Page

2023-07-26T14:02:19Z

ChN: Added Help:ReplaceMolecule page

{| style="border: 1px outset"
|+
! style="background-color:#eaecf0; padding: 10px" | Available Topics
! style="background-color:#eaecf0; padding: 10px" | Featured Molecule
|-
| style="padding: 30px" |<categorytree mode="pages" depth="3" hideroot="on" hideprefix="categories">Topic</categorytree>
| style="padding: 30px" |{{#ask: [[Category:Molecule]] [[Abbreviation::+]] [[InChIKey::+]]
|?InChIKey
|?Abbreviation
|limit=1
|order=random
|format=plainlist
|introtemplate=MoleculeShortListIntro
|outrotemplate=MoleculeListOutro
|template=MoleculeShortListRow
|searchlabel= }}
|-
! style="background-color:#eaecf0; padding:10px" colspan="2" |Featured Publication
|-
| style="padding: 30px" colspan="2"| {{#ask: [[Category:Topic]]|limit=1|order=random|searchlabel= }}
|-
! style="background-color:#eaecf0; padding: 10px" | Help
! style="background-color:#eaecf0; padding: 10px" | Media Wiki
|-
| style="padding: 15px" |
* [[Help:Getting Started]]
* [[Help:Create new paper]]
* [[Help:Create new topic]]
* [[Help:ReplaceMolecule]]
| style="padding: 15px" |
*[[mediawikiwiki:Special:MyLanguage/Manual:Configuration_settings|Configuration settings list]]
*[[mediawikiwiki:Special:MyLanguage/Manual:FAQ|MediaWiki FAQ]]
*[https://lists.wikimedia.org/postorius/lists/mediawiki-announce.lists.wikimedia.org/ MediaWiki release mailing list]
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*[[mediawikiwiki:Special:MyLanguage/Manual:Combating_spam|Learn how to combat spam on your wiki]]
*[[mediawikiwiki:Special:MyLanguage/Help:Contents|Media Wiki User's Guide]]
|}

Help:ReplaceMolecule

2023-07-26T14:01:25Z

ChN: Created Help page

==== How to replace a molecule in the wiki ====
(because it is faulty or there are other issues)

===== Molecule just looks weird, but is correct: =====

* log in (with role “editor”)
* go to molecule page, click “modify molecule” in the top right
* This opens the Modify molecule special page with the molecule pre-loaded in the editor
* redraw the molecule correctly, '''it must have the same InChIKey'''!
* Save with “modify molecule” on the bottom of the page

===== Molecule is faulty (missing charge, wrong CO bond, missing counter ion, too many H…) =====

# Set template “Faulty molecule” on page (Insert > Templates > Faulty molecule)
# Open molecule page
# Remove abbreviation (save for later use on correct molecule)
# Check section “Molecule is used on following pages”
## Topic: mostly in investigation link → will change automatically with investigation, if chemform or molecule link, replace with correct molecule link
## Publication: usually chemform or molecule link, replace
## Investigation: must be changed in investigation form
# Check if molecule is part of a collection
## if the base is wrong, redo the whole collection, check for each individual molecule
## if one R-group is wrong, change it where the collection is drawn (add new correct R-group)
# With an overview on which pages it needs to be changed you can proceed:
## on the original (publication) page where the molecule was drawn, create a new chemform with the correct molecule structure (or molecule link)
## delete the faulty chemform (or molecule link)
## save the page
## go to the new molecule page and add the abbreviation
## on pages with investigations, edit the lines mentioning the molecule (remove old with little x at end of line, add new molecule ID or abbreviation, '''select the molecule proposed! Molecule entry must be Molecule:100xxx''')
## remove “Faulty molecule” banner if all is corrected
## Save page: add “Fixed faulty molecule” or something similar in summary
## Repeat on as many pages as necessary
# Add “new” molecule to the [https://docs.google.com/spreadsheets/d/1fxYfQA3uo5vMaVXReY5LyyusimdM_poe74K4oQD9hu8/edit#gid=0 list]
## enter “ok” in “valid structure”
## link to new molecule from old molecule in “redirect”
# Check old molecule page: it should have an empty “Molecule is used on following pages” section (or only test pages)

Category:Photocatalytic CO2 conversion to CO

2023-07-19T13:28:19Z

ChN:

{{BaseTemplate}}
Table of all the experiments that have a turnover number for CO greater than 100, sorted by catalyst and in descending order.

{{#experimentlink:%5B%5BTurnover%20number%20CO%3A%3A%3E100%5D%5D|form=Photocatalytic_CO2_conversion_experiments|restrictToPages=|sort=Turnover number CH4, Catalyst|order=descending|description=TON CO > 100}}

Table of all the experiments that have a turnover number for CO less than 100, sorted by catalyst.

{{#experimentlink:%5B%5BTurnover%20number%20CO%3A%3A%3C100%5D%5D|form=Photocatalytic_CO2_conversion_experiments|restrictToPages=|sort=Catalyst|order=|description=TON CO < 100}}
[[Category:Homogeneous photocatalytic CO2 conversion]]

Category:Homogeneous photocatalytic CO2 conversion

2023-07-14T13:09:31Z

ChN:

{{BaseTemplate}}
[[Category:Photocatalytic CO2 conversion]]

=== Scope of this topic and related important content ===
The content of this topic page covers information on homogeneous approaches that are relevant for the reduction of CO2. Currently, the information on this page is limited to information on the conversion of CO2 to CO, CH4 and CHOOH, further extension of the content is planned in the future. To get the right context and preceding information, reading the higher level topics [[:Category:CO2 conversion|CO2 conversion]] and [[:Category:Photocatalytic CO2 conversion|Photocatalytic CO2 conversion]] might be helpful.

=== Distinction from other articles within the topic [[:Category:Photocatalytic CO2 conversion|>Photocatalytic CO2 conversion]] ===

[[:Category:Photocatalytic CO2 conversion|>Photocatalytic CO2 conversion]] can be formally split into processes using homogeneous catalysis or heterogeneous catalysis for the conversion of the starting material CO2. In this article, we focus on the homogeneous catalysis which involves a catalyst that is in the same phase (usually liquid or gas) as the reactants. In this case, the catalyst and the reactants are well-mixed and form a single phase throughout the reaction. The catalyst interacts directly with the reactants, forming an intermediate complex, which then undergoes a reaction to form the desired products. Homogeneous catalysis often involves the use of transition metal complexes or organocatalysts. One advantage of homogeneous catalysis is that the catalyst can be precisely tuned and controlled to promote specific reactions.

The related topic >[[:Category:Heterogeneous photocatalytic CO2 conversion|Heterogeneous photocatalytic CO2 conversion]] refers to reactions that involve a catalyst that is in a different phase (typically solid) from the reactants. The reactants are in a different phase (liquid or gas) and come into contact with the solid catalyst, which is usually in the form of a powder or a material such as a modified surface or material in general. The reactants adsorb onto the surface of the catalyst, where the catalytic reaction occurs.

=== Important aspects of homogeneous photocatalytic CO2 conversion ===
xxx

=== Summary of selected scientific progress ===
Table of all experiments that have a turnover number for one of the products CO, CH4, HCOOH, H2 or MeOH over 100. This table is sorted by catalyst.

{{#experimentlink:%5B%5BTurnover%20number%20CO%3A%3A%3E100%5D%5D%20OR%0A%5B%5BTurnover%20number%20HCOOH%3A%3A%3E100%5D%5D%20OR%0A%5B%5BTurnover%20number%20CH%3A%3A%3E100%5D%5D%20OR%0A%5B%5BTurnover%20number%20H2%3A%3A%3E100%5D%5D%20OR%0A%5B%5BTurnover%20number%20MeOH%3A%3A%3E100%5D%5D|form=Photocatalytic_CO2_conversion_experiments|restrictToPages=|sort=Catalyst|order=|description=TON CO, CH4, HCOOH, H2, MeOH >100, sorted by catalyst}}

Table of all experiments that have a turnover number for one of the products CO, CH4, HCOOH, H2 or MeOH less than 100. This table is sorted by the turnover number of H2 in descending order.

{{#experimentlink:%5B%5BTurnover%20number%20CO%3A%3A%3E100%5D%5D%20OR%0A%5B%5BTurnover%20number%20HCOOH%3A%3A%3E100%5D%5D%20OR%0A%5B%5BTurnover%20number%20CH%3A%3A%3E100%5D%5D%20OR%0A%5B%5BTurnover%20number%20H2%3A%3A%3E100%5D%5D%20OR%0A%5B%5BTurnover%20number%20MeOH%3A%3A%3E100%5D%5D|form=Photocatalytic_CO2_conversion_experiments|restrictToPages=|sort=Turnover number H2|order=descending|description=TON CO, CH4, HCOOH, H2, MeOH >100, sorted by TON H2 descending}}

Dear reader, I am a test molecule called phenol {{#moleculelink:|link=ISWSIDIOOBJBQZ-UHFFFAOYSA-N}}, you can call me also benzenol {{#moleculelink:|link=ISWSIDIOOBJBQZ-UHFFFAOYSA-N}}.

Mn-carbonyl molecular catalysts containing a redox-active phenanthroline-5,6-dione for selective electro- and photoreduction of CO2 to CO or HCOOH

2023-07-13T14:24:49Z

ChN: Added molecule link, fixed wrong molecule

{{#doiinfobox: 10.1016/j.electacta.2017.04.080}}
[[Category:Photocatalytic CO2 conversion to HCOOH]]
{{BaseTemplate}}

==== Catalyst====
<chemform smiles="C1C=CN2[Mn+]([Br-])(C#O)(C#O)(C#O)N3=CC=CC4C(=O)C(=O)C=1C=2C=43" inchi="1S/C12H6N2O2.3CHO.BrH.Mn/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;3*1-2;;/h1-6H;3*1H;1H;/q;;;;;+1/p-1" inchikey="ZMUYZQUZOJZTSM-UHFFFAOYSA-M" height="200px" width="300px" float="none">
-INDIGO-02132316042D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 27 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.40083 -3.01814 0.0 0
M V30 2 C 7.89956 -3.88287 0.0 0
M V30 3 C 7.40155 -3.01842 0.0 0
M V30 4 N 7.39909 -4.74971 0.0 0
M V30 5 C 5.89836 -3.88844 0.0 0
M V30 6 C 6.40341 -4.75162 0.0 0
M V30 7 C 7.90019 -2.15789 0.0 0
M V30 8 C 8.89805 -2.15853 0.0 0
M V30 9 C 8.90142 -3.88351 0.0 0
M V30 10 C 9.39546 -3.01753 0.0 0
M V30 11 C 10.3894 -3.01305 0.0 0
M V30 12 C 10.8927 -3.87395 0.0 0
M V30 13 N 9.40673 -4.74785 0.0 0
M V30 14 C 10.403 -4.73667 0.0 0
M V30 15 O 7.40019 -1.29186 0.0 0
M V30 16 O 9.39805 -1.2925 0.0 0
M V30 17 Mn 8.375 -5.525 0.0 0 CHG=1
M V30 18 C 7.50897 -6.025 0.0 0
M V30 19 C 9.24102 -6.025 0.0 0
M V30 20 C 8.375 -6.525 0.0 0
M V30 21 Br 8.375 -4.525 0.0 0 CHG=-1
M V30 22 O 6.64295 -6.525 0.0 0
M V30 23 O 8.375 -7.525 0.0 0
M V30 24 O 10.1071 -6.525 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 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 2 7 15
M V30 18 2 8 16
M V30 19 10 4 17
M V30 20 10 13 17
M V30 21 10 17 18
M V30 22 10 17 19
M V30 23 10 17 20
M V30 24 10 17 21
M V30 25 3 18 22
M V30 26 3 20 23
M V30 27 3 19 24
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C12N3[Mn+](C#O)(C#O)(C#O)(N#CC)N4=CC=CC(C(=O)C(=O)C=1C=CC=3)=C24" inchi="1S/C12H6N2O2.C2H3N.3CHO.Mn/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2-3;3*1-2;/h1-6H;1H3;3*1H;/q;;;;;+1" inchikey="YEWOWPOKKZXMQA-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-02132316072D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 26 29 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.22511 -3.34193 0.0 0
M V30 2 C 8.22463 -1.61163 0.0 0
M V30 3 C 7.72501 -2.47514 0.0 0
M V30 4 C 9.22557 -1.61163 0.0 0
M V30 5 C 9.23006 -3.34193 0.0 0
M V30 6 C 9.72507 -2.47296 0.0 0
M V30 7 N 7.72549 -4.20544 0.0 0
M V30 8 C 6.72455 -4.20544 0.0 0
M V30 9 C 6.72006 -2.47514 0.0 0
M V30 10 C 6.22505 -3.34411 0.0 0
M V30 11 C 10.7221 -2.46783 0.0 0
M V30 12 C 11.2275 -3.33106 0.0 0
M V30 13 N 9.73749 -4.20861 0.0 0
M V30 14 C 10.7369 -4.19675 0.0 0
M V30 15 O 7.72503 -0.74537 0.0 0
M V30 16 O 9.72474 -0.745122 0.0 0
M V30 17 Mn 8.75 -4.975 0.0 0 CHG=1
M V30 18 N 10.8 -4.975 0.0 0
M V30 19 C 7.76789 -5.55711 0.0 0
M V30 20 C 9.78211 -5.53211 0.0 0
M V30 21 C 8.75 -5.975 0.0 0
M V30 22 O 6.90187 -6.05711 0.0 0
M V30 23 O 8.75 -6.975 0.0 0
M V30 24 O 10.6481 -6.03211 0.0 0
M V30 25 C 11.5909 -4.96618 0.0 0
M V30 26 C 12.3319 -4.95736 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 1 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 3 9
M V30 9 1 7 1
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 5 13
M V30 14 1 11 6
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 2 2 15
M V30 18 2 4 16
M V30 19 10 7 17
M V30 20 10 17 13
M V30 21 10 17 18
M V30 22 10 17 19
M V30 23 10 17 20
M V30 24 10 17 21
M V30 25 3 19 22
M V30 26 3 21 23
M V30 27 3 20 24
M V30 28 3 18 25
M V30 29 1 25 26
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="[Mn+](~C#O)(~C#O)(~C#O)(~[Br-])1~N2=CC=CC3C=CC4C(C=32)=N~1C=CC=4" inchi="1S/C12H8N2.3CO.BrH.Mn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1" inchikey="PGQIIBGFONEXSA-UHFFFAOYSA-M" height="200px" width="300px" float="none">
-INDIGO-03202311252D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 22 25 0 0 0
M V30 BEGIN ATOM
M V30 1 Mn 8.825 -5.95 0.0 0 CHG=1
M V30 2 C 6.77583 -3.41814 0.0 0
M V30 3 C 8.27456 -4.28287 0.0 0
M V30 4 C 7.77655 -3.41842 0.0 0
M V30 5 N 7.77409 -5.14971 0.0 0
M V30 6 C 6.27336 -4.28844 0.0 0
M V30 7 C 6.77841 -5.15162 0.0 0
M V30 8 C 8.27519 -2.55789 0.0 0
M V30 9 C 9.27305 -2.55853 0.0 0
M V30 10 C 9.27642 -4.28351 0.0 0
M V30 11 C 9.77046 -3.41753 0.0 0
M V30 12 C 10.7644 -3.41305 0.0 0
M V30 13 C 11.2677 -4.27395 0.0 0
M V30 14 N 9.78173 -5.14785 0.0 0
M V30 15 C 10.778 -5.13666 0.0 0
M V30 16 Br 8.825 -4.95 0.0 0 CHG=-1
M V30 17 C 7.95897 -6.45 0.0 0
M V30 18 C 8.825 -6.95 0.0 0
M V30 19 C 9.69103 -6.45 0.0 0
M V30 20 O 7.09295 -6.95 0.0 0
M V30 21 O 8.825 -7.95 0.0 0
M V30 22 O 10.5571 -6.95 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 4 2
M V30 2 2 5 3
M V30 3 1 2 6
M V30 4 1 3 4
M V30 5 2 6 7
M V30 6 1 7 5
M V30 7 2 9 8
M V30 8 1 3 10
M V30 9 1 8 4
M V30 10 2 10 11
M V30 11 1 11 9
M V30 12 2 13 12
M V30 13 1 10 14
M V30 14 1 12 11
M V30 15 2 14 15
M V30 16 1 15 13
M V30 17 8 5 1
M V30 18 8 14 1
M V30 19 8 1 16
M V30 20 8 1 17
M V30 21 8 1 18
M V30 22 8 1 19
M V30 23 3 17 20
M V30 24 3 18 21
M V30 25 3 19 22
M V30 END BOND
M V30 END CTAB
M END
</chemform>{{#moleculelink:|link=ZUZWBGQHMPVNDY-UHFFFAOYSA-M|image=true}}

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

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

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

Mn-carbonyl molecular catalysts containing a redox-active phenanthroline-5,6-dione for selective electro- and photoreduction of CO2 to CO or HCOOH/Photocatalytic CO2 reduction with the Mn complexes under various conditions.

2023-07-13T14:24:25Z

ChN:

{{Photocatalytic CO2 conversion experiments
|experiments={{Photocatalytic CO2 conversion
|catalyst=Molecule:100691
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=8
|TON HCOOH=52
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=24
|TON CO=15
|TON HCOOH=58
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=9
|TON HCOOH=48
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100752
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=47
|TON HCOOH=15
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=500
|irr time=16
|TON CO=7
|TON HCOOH=40
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=457
|irr time=16
|TON CO=7
|TON HCOOH=34
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|cat conc=2
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=5
|TON HCOOH=18
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=200
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=8
|TON HCOOH=52
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent C=Molecule:100616
|solvent-ratio=4:1
|λexc=480
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent C=Molecule:100616
|λexc=500
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=3
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=500
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100691
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|additives=Argon gas
|λexc=480
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100691
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=21
|TON HCOOH=22
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100691
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|λexc=480
|irr time=16
|TON CO=2
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100691
|PS=Molecule:100680
|PS conc=100
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|λexc=480
|irr time=16
|TON CO=9
|TON HCOOH=13
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100708
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=17
|TON HCOOH=4
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100752
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=6
|TON HCOOH=39
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|solvent A=Molecule:100616
|additives=ascorbic acid/NaA
|λexc=480
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|solvent A=Molecule:100616
|solvent B=Molecule:100507
|additives=ascorbic acid/NaA
|λexc=500
|irr time=16
|include=No
}}
}}

Photocatalytic CO2 reduction using a Mn complex as a catalyst

2023-07-13T14:22:52Z

ChN: Added molecule link, fixed wrong molecule

{{#doiinfobox: 10.1039/c3cc48122k}}
[[Category:Photocatalytic CO2 conversion to HCOOH]]

====Catalyst====
{{#moleculelink:|link=ZUZWBGQHMPVNDY-UHFFFAOYSA-M|image=true}}

====Photosensitizer ====
<chemform smiles="C1C=N2[Ru+2]3(N4C=CC(C)=CC=4C4C=C(C)C=CN=43)3(N4C(C5N3=CC=C(C)C=5)=CC(C)=CC=4)N3=CC=C(C)C=C3C2=CC=1C" inchi="1S/3C12H12N2.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h3*3-8H,1-2H3;/q;;;+2" inchikey="WUWVNHJPTGULIW-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-02142311352D

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 6.35768 -2.93886 0.0 0
M V30 2 C 7.61501 -2.27809 0.0 0
M V30 3 C 6.80207 -2.21658 0.0 0
M V30 4 C 8.10653 -3.14195 0.0 0
M V30 5 C 6.71538 -3.87761 0.0 0
M V30 6 N 7.61901 -4.00724 0.0 0
M V30 7 C 8.79662 -3.08267 0.0 0
M V30 8 C 10.0909 -2.28393 0.0 0
M V30 9 C 9.27954 -2.32474 0.0 0
M V30 10 C 10.5063 -3.02465 0.0 0
M V30 11 N 9.33749 -4.05101 0.0 0
M V30 12 C 10.1565 -3.92085 0.0 0
M V30 13 C 7.47 -8.33072 0.0 0
M V30 14 C 6.28361 -7.65783 0.0 0
M V30 15 C 6.65185 -8.34855 0.0 0
M V30 16 C 6.67988 -6.87978 0.0 0
M V30 17 C 8.04582 -7.59376 0.0 0
M V30 18 N 7.7496 -6.81974 0.0 0
M V30 19 C 6.38048 -6.29585 0.0 0
M V30 20 C 4.99876 -5.65695 0.0 0
M V30 21 C 5.44191 -6.31058 0.0 0
M V30 22 C 5.38186 -4.93742 0.0 0
M V30 23 N 6.88944 -5.4224 0.0 0
M V30 24 C 6.32336 -4.76768 0.0 0
M V30 25 C 10.0127 -8.25776 0.0 0
M V30 26 N 9.59579 -6.78922 0.0 0
M V30 27 C 9.38332 -7.57278 0.0 0
M V30 28 C 10.6974 -6.80324 0.0 0
M V30 29 C 10.8125 -8.23576 0.0 0
M V30 30 C 11.1207 -7.54641 0.0 0
M V30 31 C 10.9292 -6.2219 0.0 0
M V30 32 C 10.9713 -4.72006 0.0 0
M V30 33 N 10.3833 -5.38597 0.0 0
M V30 34 C 11.9132 -4.86969 0.0 0
M V30 35 C 11.8995 -6.21098 0.0 0
M V30 36 C 12.308 -5.55469 0.0 0
M V30 37 C 6.30598 -1.25062 0.0 0
M V30 38 C 10.6157 -1.3077 0.0 0
M V30 39 C 13.4359 -5.58385 0.0 0
M V30 40 C 11.4414 -9.15537 0.0 0
M V30 41 C 6.0887 -9.26899 0.0 0
M V30 42 C 3.93305 -5.68049 0.0 0
M V30 43 Ru 8.58577 -5.42202 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 1 4 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 28 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 1 3 37
M V30 41 1 8 38
M V30 42 1 36 39
M V30 43 1 29 40
M V30 44 1 15 41
M V30 45 1 20 42
M V30 46 10 6 43
M V30 47 10 11 43
M V30 48 10 23 43
M V30 49 10 18 43
M V30 50 10 26 43
M V30 51 10 33 43
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="N12[Ru+2](N3=CC=CC=C3C1=CC=CC=2)1(N2C(C3N1=CC=CC=3)=CC=CC=2)1N2C=CC=CC=2C2=N1C=CC=C2" inchi="1S/3C10H8N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;/q;;;+2" inchikey="HNVRWFFXWFXICS-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-02142311402D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 37 45 0 0 0
M V30 BEGIN ATOM
M V30 1 N 10.4686 -4.89367 0.0 0
M V30 2 C 9.86013 -3.35178 0.0 0
M V30 3 C 9.7559 -4.32845 0.0 0
M V30 4 C 10.5812 -2.93696 0.0 0
M V30 5 C 11.2912 -4.28715 0.0 0
M V30 6 C 11.2672 -3.32813 0.0 0
M V30 7 C 11.926 -4.59035 0.0 0
M V30 8 C 13.407 -4.41796 0.0 0
M V30 9 C 12.6927 -4.07702 0.0 0
M V30 10 C 13.4744 -5.24515 0.0 0
M V30 11 N 11.9424 -5.66607 0.0 0
M V30 12 C 12.7601 -5.88523 0.0 0
M V30 13 N 12.1907 -7.31984 0.0 0
M V30 14 C 13.8922 -7.57782 0.0 0
M V30 15 C 13.0884 -6.97298 0.0 0
M V30 16 C 13.8688 -8.43063 0.0 0
M V30 17 C 12.3039 -8.35398 0.0 0
M V30 18 C 13.1498 -8.81725 0.0 0
M V30 19 C 11.6693 -8.71536 0.0 0
M V30 20 C 11.0428 -10.0631 0.0 0
M V30 21 C 11.7283 -9.63489 0.0 0
M V30 22 C 10.2824 -9.6709 0.0 0
M V30 23 N 10.7291 -8.179 0.0 0
M V30 24 C 10.1211 -8.72059 0.0 0
M V30 25 C 7.40786 -6.05302 0.0 0
M V30 26 C 7.41674 -5.26498 0.0 0
M V30 27 C 8.98334 -5.17125 0.0 0
M V30 28 C 8.22399 -6.45531 0.0 0
M V30 29 N 9.14653 -5.94372 0.0 0
M V30 30 C 8.17252 -7.17954 0.0 0
M V30 31 C 8.93917 -8.5102 0.0 0
M V30 32 N 9.12933 -7.59242 0.0 0
M V30 33 C 8.01894 -8.86654 0.0 0
M V30 34 C 7.37472 -7.63591 0.0 0
M V30 35 C 7.32652 -8.42014 0.0 0
M V30 36 C 8.11795 -4.83872 0.0 0
M V30 37 Ru 10.613 -6.61608 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 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 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 17 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 26 25
M V30 28 1 25 28
M V30 29 2 28 29
M V30 30 1 29 27
M V30 31 1 28 30
M V30 32 2 32 30
M V30 33 2 33 31
M V30 34 1 30 34
M V30 35 1 31 32
M V30 36 2 34 35
M V30 37 1 35 33
M V30 38 2 27 36
M V30 39 1 36 26
M V30 40 10 29 37
M V30 41 10 32 37
M V30 42 10 23 37
M V30 43 10 13 37
M V30 44 10 11 37
M V30 45 10 1 37
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Investigation ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table1}}

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

Photocatalytic CO2 reduction using a Mn complex as a catalyst/Photocatalytic CO2 reduction: conditions optimization

2023-07-13T14:22:16Z

ChN:

{{Photocatalytic CO2 conversion experiments
|experiments={{Photocatalytic CO2 conversion
|catalyst=Molecule:100752
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=0.17
|TON CO=2
|TON HCOOH=4
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100752
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=2
|TON CO=8
|TON H2=1
|TON HCOOH=67
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100752
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=12
|TON H2=14
|TON HCOOH=149
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100752
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|additives=Argon gas
|λexc=480
|irr time=12
|TON CO=2
|TON H2=49
|TON HCOOH=4
|include=Yes
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=2
|TON CO=1
|TON H2=4
|TON HCOOH=8
|include=Yes
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=3
|TON H2=11
|TON HCOOH=25
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100752
|cat conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=3
|TON HCOOH=1
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100752
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100531
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=720
|TON CO=9
|TON H2=14
|TON HCOOH=98
|include=Yes
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100531
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=3
|TON H2=7
|TON HCOOH=19
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100752
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=40
|TON H2=17
|TON HCOOH=78
|include=Yes
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=2
|TON H2=12
|TON HCOOH=14
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100752
|cat conc=0.05
|PS=Molecule:100680
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=12
|TON H2=8
|TON HCOOH=157
|include=Yes
}}
}}

Mn-carbonyl molecular catalysts containing a redox-active phenanthroline-5,6-dione for selective electro- and photoreduction of CO2 to CO or HCOOH

2023-07-13T14:06:57Z

ChN: Fixed faulty molecule - investigation, added molecule link

{{#doiinfobox: 10.1016/j.electacta.2017.04.080}}
[[Category:Photocatalytic CO2 conversion to HCOOH]]
{{BaseTemplate}}

==== Catalyst====
<chemform smiles="C1C=CN2[Mn+]([Br-])(C#O)(C#O)(C#O)N3=CC=CC4C(=O)C(=O)C=1C=2C=43" inchi="1S/C12H6N2O2.3CHO.BrH.Mn/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;3*1-2;;/h1-6H;3*1H;1H;/q;;;;;+1/p-1" inchikey="ZMUYZQUZOJZTSM-UHFFFAOYSA-M" height="200px" width="300px" float="none">
-INDIGO-02132316042D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 27 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.40083 -3.01814 0.0 0
M V30 2 C 7.89956 -3.88287 0.0 0
M V30 3 C 7.40155 -3.01842 0.0 0
M V30 4 N 7.39909 -4.74971 0.0 0
M V30 5 C 5.89836 -3.88844 0.0 0
M V30 6 C 6.40341 -4.75162 0.0 0
M V30 7 C 7.90019 -2.15789 0.0 0
M V30 8 C 8.89805 -2.15853 0.0 0
M V30 9 C 8.90142 -3.88351 0.0 0
M V30 10 C 9.39546 -3.01753 0.0 0
M V30 11 C 10.3894 -3.01305 0.0 0
M V30 12 C 10.8927 -3.87395 0.0 0
M V30 13 N 9.40673 -4.74785 0.0 0
M V30 14 C 10.403 -4.73667 0.0 0
M V30 15 O 7.40019 -1.29186 0.0 0
M V30 16 O 9.39805 -1.2925 0.0 0
M V30 17 Mn 8.375 -5.525 0.0 0 CHG=1
M V30 18 C 7.50897 -6.025 0.0 0
M V30 19 C 9.24102 -6.025 0.0 0
M V30 20 C 8.375 -6.525 0.0 0
M V30 21 Br 8.375 -4.525 0.0 0 CHG=-1
M V30 22 O 6.64295 -6.525 0.0 0
M V30 23 O 8.375 -7.525 0.0 0
M V30 24 O 10.1071 -6.525 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 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 2 7 15
M V30 18 2 8 16
M V30 19 10 4 17
M V30 20 10 13 17
M V30 21 10 17 18
M V30 22 10 17 19
M V30 23 10 17 20
M V30 24 10 17 21
M V30 25 3 18 22
M V30 26 3 20 23
M V30 27 3 19 24
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C12N3[Mn+](C#O)(C#O)(C#O)(N#CC)N4=CC=CC(C(=O)C(=O)C=1C=CC=3)=C24" inchi="1S/C12H6N2O2.C2H3N.3CHO.Mn/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2-3;3*1-2;/h1-6H;1H3;3*1H;/q;;;;;+1" inchikey="YEWOWPOKKZXMQA-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-02132316072D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 26 29 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.22511 -3.34193 0.0 0
M V30 2 C 8.22463 -1.61163 0.0 0
M V30 3 C 7.72501 -2.47514 0.0 0
M V30 4 C 9.22557 -1.61163 0.0 0
M V30 5 C 9.23006 -3.34193 0.0 0
M V30 6 C 9.72507 -2.47296 0.0 0
M V30 7 N 7.72549 -4.20544 0.0 0
M V30 8 C 6.72455 -4.20544 0.0 0
M V30 9 C 6.72006 -2.47514 0.0 0
M V30 10 C 6.22505 -3.34411 0.0 0
M V30 11 C 10.7221 -2.46783 0.0 0
M V30 12 C 11.2275 -3.33106 0.0 0
M V30 13 N 9.73749 -4.20861 0.0 0
M V30 14 C 10.7369 -4.19675 0.0 0
M V30 15 O 7.72503 -0.74537 0.0 0
M V30 16 O 9.72474 -0.745122 0.0 0
M V30 17 Mn 8.75 -4.975 0.0 0 CHG=1
M V30 18 N 10.8 -4.975 0.0 0
M V30 19 C 7.76789 -5.55711 0.0 0
M V30 20 C 9.78211 -5.53211 0.0 0
M V30 21 C 8.75 -5.975 0.0 0
M V30 22 O 6.90187 -6.05711 0.0 0
M V30 23 O 8.75 -6.975 0.0 0
M V30 24 O 10.6481 -6.03211 0.0 0
M V30 25 C 11.5909 -4.96618 0.0 0
M V30 26 C 12.3319 -4.95736 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 1 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 3 9
M V30 9 1 7 1
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 5 13
M V30 14 1 11 6
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 2 2 15
M V30 18 2 4 16
M V30 19 10 7 17
M V30 20 10 17 13
M V30 21 10 17 18
M V30 22 10 17 19
M V30 23 10 17 20
M V30 24 10 17 21
M V30 25 3 19 22
M V30 26 3 21 23
M V30 27 3 20 24
M V30 28 3 18 25
M V30 29 1 25 26
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="[Mn+](~C#O)(~C#O)(~C#O)(~[Br-])1~N2=CC=CC3C=CC4C(C=32)=N~1C=CC=4" inchi="1S/C12H8N2.3CO.BrH.Mn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1" inchikey="PGQIIBGFONEXSA-UHFFFAOYSA-M" height="200px" width="300px" float="none">
-INDIGO-03202311252D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 22 25 0 0 0
M V30 BEGIN ATOM
M V30 1 Mn 8.825 -5.95 0.0 0 CHG=1
M V30 2 C 6.77583 -3.41814 0.0 0
M V30 3 C 8.27456 -4.28287 0.0 0
M V30 4 C 7.77655 -3.41842 0.0 0
M V30 5 N 7.77409 -5.14971 0.0 0
M V30 6 C 6.27336 -4.28844 0.0 0
M V30 7 C 6.77841 -5.15162 0.0 0
M V30 8 C 8.27519 -2.55789 0.0 0
M V30 9 C 9.27305 -2.55853 0.0 0
M V30 10 C 9.27642 -4.28351 0.0 0
M V30 11 C 9.77046 -3.41753 0.0 0
M V30 12 C 10.7644 -3.41305 0.0 0
M V30 13 C 11.2677 -4.27395 0.0 0
M V30 14 N 9.78173 -5.14785 0.0 0
M V30 15 C 10.778 -5.13666 0.0 0
M V30 16 Br 8.825 -4.95 0.0 0 CHG=-1
M V30 17 C 7.95897 -6.45 0.0 0
M V30 18 C 8.825 -6.95 0.0 0
M V30 19 C 9.69103 -6.45 0.0 0
M V30 20 O 7.09295 -6.95 0.0 0
M V30 21 O 8.825 -7.95 0.0 0
M V30 22 O 10.5571 -6.95 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 4 2
M V30 2 2 5 3
M V30 3 1 2 6
M V30 4 1 3 4
M V30 5 2 6 7
M V30 6 1 7 5
M V30 7 2 9 8
M V30 8 1 3 10
M V30 9 1 8 4
M V30 10 2 10 11
M V30 11 1 11 9
M V30 12 2 13 12
M V30 13 1 10 14
M V30 14 1 12 11
M V30 15 2 14 15
M V30 16 1 15 13
M V30 17 8 5 1
M V30 18 8 14 1
M V30 19 8 1 16
M V30 20 8 1 17
M V30 21 8 1 18
M V30 22 8 1 19
M V30 23 3 17 20
M V30 24 3 18 21
M V30 25 3 19 22
M V30 END BOND
M V30 END CTAB
M END
</chemform>{{#moleculelink:|link=NUEMFRBQUXRMAE-UHFFFAOYSA-M|image=true}}

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

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

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

Mn-carbonyl molecular catalysts containing a redox-active phenanthroline-5,6-dione for selective electro- and photoreduction of CO2 to CO or HCOOH/Photocatalytic CO2 reduction with the Mn complexes under various conditions.

2023-07-13T14:06:10Z

ChN:

{{Photocatalytic CO2 conversion experiments
|experiments={{Photocatalytic CO2 conversion
|catalyst=Molecule:100691
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=8
|TON HCOOH=52
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=24
|TON CO=15
|TON HCOOH=58
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=9
|TON HCOOH=48
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100775
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=47
|TON HCOOH=15
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=500
|irr time=16
|TON CO=7
|TON HCOOH=40
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=457
|irr time=16
|TON CO=7
|TON HCOOH=34
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|cat conc=2
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=5
|TON HCOOH=18
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=200
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=8
|TON HCOOH=52
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent C=Molecule:100616
|solvent-ratio=4:1
|λexc=480
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent C=Molecule:100616
|λexc=500
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=3
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=500
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100691
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|additives=Argon gas
|λexc=480
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100691
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=21
|TON HCOOH=22
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100691
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|λexc=480
|irr time=16
|TON CO=2
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100691
|PS=Molecule:100680
|PS conc=100
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|λexc=480
|irr time=16
|TON CO=9
|TON HCOOH=13
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100708
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=17
|TON HCOOH=4
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100775
|PS=Molecule:100680
|PS conc=100
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=16
|TON CO=6
|TON HCOOH=39
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|solvent A=Molecule:100616
|additives=ascorbic acid/NaA
|λexc=480
|irr time=16
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100693
|PS=Molecule:100680
|PS conc=100
|solvent A=Molecule:100616
|solvent B=Molecule:100507
|additives=ascorbic acid/NaA
|λexc=500
|irr time=16
|include=No
}}
}}

Photocatalytic CO2 reduction using a Mn complex as a catalyst/Photocatalytic CO2 reduction: conditions optimization

2023-07-13T14:04:30Z

ChN:

{{Photocatalytic CO2 conversion experiments
|experiments={{Photocatalytic CO2 conversion
|catalyst=Molecule:100775
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=0.17
|TON CO=2
|TON HCOOH=4
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100775
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=2
|TON CO=8
|TON H2=1
|TON HCOOH=67
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100775
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=12
|TON H2=14
|TON HCOOH=149
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100775
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|additives=Argon gas
|λexc=480
|irr time=12
|TON CO=2
|TON H2=49
|TON HCOOH=4
|include=Yes
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=2
|TON CO=1
|TON H2=4
|TON HCOOH=8
|include=Yes
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=3
|TON H2=11
|TON HCOOH=25
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100775
|cat conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=3
|TON HCOOH=1
|include=No
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100775
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100531
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=720
|TON CO=9
|TON H2=14
|TON HCOOH=98
|include=Yes
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100531
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=3
|TON H2=7
|TON HCOOH=19
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100775
|cat conc=0.05
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=40
|TON H2=17
|TON HCOOH=78
|include=Yes
}}{{Photocatalytic CO2 conversion
|PS=Molecule:100694
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100530
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=2
|TON H2=12
|TON HCOOH=14
|include=Yes
}}{{Photocatalytic CO2 conversion
|catalyst=Molecule:100775
|cat conc=0.05
|PS=Molecule:100680
|PS conc=0.05
|e-D=Molecule:100509
|e-D conc=0.1
|solvent A=Molecule:100529
|solvent B=Molecule:100507
|solvent-ratio=4:1
|λexc=480
|irr time=12
|TON CO=12
|TON H2=8
|TON HCOOH=157
|include=Yes
}}
}}

Photocatalytic CO2 reduction using a Mn complex as a catalyst

2023-07-13T14:02:34Z

ChN: Fixed faulty molecule - structure

{{#doiinfobox: 10.1039/c3cc48122k}}
[[Category:Photocatalytic CO2 conversion to HCOOH]]

====Catalyst====
<chemform smiles="C1C=C2C3C=CC=CN=3[Mn+]([C-]#[O+])([C-]#[O+])([Br-])N2=CC=1" inchi="1S/C10H8N2.2CO.BrH.Mn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2;;/h1-8H;;;1H;/q;;;;+1/p-1" inchikey="NUEMFRBQUXRMAE-UHFFFAOYSA-M" height="200px" width="300px" float="none">
-INDIGO-07132316012D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 18 20 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.13485 -2.30007 0.0 0
M V30 2 C 6.86515 -2.29959 0.0 0
M V30 3 C 6.00164 -1.79997 0.0 0
M V30 4 N 6.86515 -3.30053 0.0 0
M V30 5 C 5.13485 -3.30502 0.0 0
M V30 6 C 6.00382 -3.80003 0.0 0
M V30 7 C 6.00382 -4.80003 0.0 0
M V30 8 C 6.8704 -6.2977 0.0 0
M V30 9 N 6.87066 -5.30006 0.0 0
M V30 10 C 6.00389 -6.79875 0.0 0
M V30 11 C 5.13385 -5.30309 0.0 0
M V30 12 C 5.14031 -6.30314 0.0 0
M V30 13 Mn 7.7 -4.375 0.0 0 CHG=1
M V30 14 Br 7.7 -3.375 0.0 0 CHG=-1
M V30 15 C 8.40711 -3.66789 0.0 0 CHG=-1
M V30 16 C 8.40711 -5.08211 0.0 0 CHG=-1
M V30 17 O 9.11421 -5.78921 0.0 0 CHG=1
M V30 18 O 9.11421 -2.96079 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 3 16 17
M V30 20 3 15 18
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Photosensitizer ====
<chemform smiles="C1C=N2[Ru+2]3(N4C=CC(C)=CC=4C4C=C(C)C=CN=43)3(N4C(C5N3=CC=C(C)C=5)=CC(C)=CC=4)N3=CC=C(C)C=C3C2=CC=1C" inchi="1S/3C12H12N2.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h3*3-8H,1-2H3;/q;;;+2" inchikey="WUWVNHJPTGULIW-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-02142311352D

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 6.35768 -2.93886 0.0 0
M V30 2 C 7.61501 -2.27809 0.0 0
M V30 3 C 6.80207 -2.21658 0.0 0
M V30 4 C 8.10653 -3.14195 0.0 0
M V30 5 C 6.71538 -3.87761 0.0 0
M V30 6 N 7.61901 -4.00724 0.0 0
M V30 7 C 8.79662 -3.08267 0.0 0
M V30 8 C 10.0909 -2.28393 0.0 0
M V30 9 C 9.27954 -2.32474 0.0 0
M V30 10 C 10.5063 -3.02465 0.0 0
M V30 11 N 9.33749 -4.05101 0.0 0
M V30 12 C 10.1565 -3.92085 0.0 0
M V30 13 C 7.47 -8.33072 0.0 0
M V30 14 C 6.28361 -7.65783 0.0 0
M V30 15 C 6.65185 -8.34855 0.0 0
M V30 16 C 6.67988 -6.87978 0.0 0
M V30 17 C 8.04582 -7.59376 0.0 0
M V30 18 N 7.7496 -6.81974 0.0 0
M V30 19 C 6.38048 -6.29585 0.0 0
M V30 20 C 4.99876 -5.65695 0.0 0
M V30 21 C 5.44191 -6.31058 0.0 0
M V30 22 C 5.38186 -4.93742 0.0 0
M V30 23 N 6.88944 -5.4224 0.0 0
M V30 24 C 6.32336 -4.76768 0.0 0
M V30 25 C 10.0127 -8.25776 0.0 0
M V30 26 N 9.59579 -6.78922 0.0 0
M V30 27 C 9.38332 -7.57278 0.0 0
M V30 28 C 10.6974 -6.80324 0.0 0
M V30 29 C 10.8125 -8.23576 0.0 0
M V30 30 C 11.1207 -7.54641 0.0 0
M V30 31 C 10.9292 -6.2219 0.0 0
M V30 32 C 10.9713 -4.72006 0.0 0
M V30 33 N 10.3833 -5.38597 0.0 0
M V30 34 C 11.9132 -4.86969 0.0 0
M V30 35 C 11.8995 -6.21098 0.0 0
M V30 36 C 12.308 -5.55469 0.0 0
M V30 37 C 6.30598 -1.25062 0.0 0
M V30 38 C 10.6157 -1.3077 0.0 0
M V30 39 C 13.4359 -5.58385 0.0 0
M V30 40 C 11.4414 -9.15537 0.0 0
M V30 41 C 6.0887 -9.26899 0.0 0
M V30 42 C 3.93305 -5.68049 0.0 0
M V30 43 Ru 8.58577 -5.42202 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 1 4 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 28 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 1 3 37
M V30 41 1 8 38
M V30 42 1 36 39
M V30 43 1 29 40
M V30 44 1 15 41
M V30 45 1 20 42
M V30 46 10 6 43
M V30 47 10 11 43
M V30 48 10 23 43
M V30 49 10 18 43
M V30 50 10 26 43
M V30 51 10 33 43
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="N12[Ru+2](N3=CC=CC=C3C1=CC=CC=2)1(N2C(C3N1=CC=CC=3)=CC=CC=2)1N2C=CC=CC=2C2=N1C=CC=C2" inchi="1S/3C10H8N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;/q;;;+2" inchikey="HNVRWFFXWFXICS-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-02142311402D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 37 45 0 0 0
M V30 BEGIN ATOM
M V30 1 N 10.4686 -4.89367 0.0 0
M V30 2 C 9.86013 -3.35178 0.0 0
M V30 3 C 9.7559 -4.32845 0.0 0
M V30 4 C 10.5812 -2.93696 0.0 0
M V30 5 C 11.2912 -4.28715 0.0 0
M V30 6 C 11.2672 -3.32813 0.0 0
M V30 7 C 11.926 -4.59035 0.0 0
M V30 8 C 13.407 -4.41796 0.0 0
M V30 9 C 12.6927 -4.07702 0.0 0
M V30 10 C 13.4744 -5.24515 0.0 0
M V30 11 N 11.9424 -5.66607 0.0 0
M V30 12 C 12.7601 -5.88523 0.0 0
M V30 13 N 12.1907 -7.31984 0.0 0
M V30 14 C 13.8922 -7.57782 0.0 0
M V30 15 C 13.0884 -6.97298 0.0 0
M V30 16 C 13.8688 -8.43063 0.0 0
M V30 17 C 12.3039 -8.35398 0.0 0
M V30 18 C 13.1498 -8.81725 0.0 0
M V30 19 C 11.6693 -8.71536 0.0 0
M V30 20 C 11.0428 -10.0631 0.0 0
M V30 21 C 11.7283 -9.63489 0.0 0
M V30 22 C 10.2824 -9.6709 0.0 0
M V30 23 N 10.7291 -8.179 0.0 0
M V30 24 C 10.1211 -8.72059 0.0 0
M V30 25 C 7.40786 -6.05302 0.0 0
M V30 26 C 7.41674 -5.26498 0.0 0
M V30 27 C 8.98334 -5.17125 0.0 0
M V30 28 C 8.22399 -6.45531 0.0 0
M V30 29 N 9.14653 -5.94372 0.0 0
M V30 30 C 8.17252 -7.17954 0.0 0
M V30 31 C 8.93917 -8.5102 0.0 0
M V30 32 N 9.12933 -7.59242 0.0 0
M V30 33 C 8.01894 -8.86654 0.0 0
M V30 34 C 7.37472 -7.63591 0.0 0
M V30 35 C 7.32652 -8.42014 0.0 0
M V30 36 C 8.11795 -4.83872 0.0 0
M V30 37 Ru 10.613 -6.61608 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 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 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 17 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 26 25
M V30 28 1 25 28
M V30 29 2 28 29
M V30 30 1 29 27
M V30 31 1 28 30
M V30 32 2 32 30
M V30 33 2 33 31
M V30 34 1 30 34
M V30 35 1 31 32
M V30 36 2 34 35
M V30 37 1 35 33
M V30 38 2 27 36
M V30 39 1 36 26
M V30 40 10 29 37
M V30 41 10 32 37
M V30 42 10 23 37
M V30 43 10 13 37
M V30 44 10 11 37
M V30 45 10 1 37
M V30 END BOND
M V30 END CTAB
M END
</chemform>

====Investigation ====
{{#experimentlist:|form=Photocatalytic_CO2_conversion_experiments|name=Table1}}

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

Main Page

2023-07-12T14:05:04Z

ChN: Main Page Style Overhaul

{| style="border: 1px outset"
|+
! style="background-color:#eaecf0; padding: 10px" | Available Topics
! style="background-color:#eaecf0; padding: 10px" | Featured Molecule
|-
| style="padding: 30px" |<categorytree mode="pages" depth="3" hideroot="on" hideprefix="categories">Topic</categorytree>
| style="padding: 30px" |{{#ask: [[Category:Molecule]] [[Abbreviation::+]] [[InChIKey::+]]
|?InChIKey
|?Abbreviation
|limit=1
|order=random
|format=plainlist
|introtemplate=MoleculeShortListIntro
|outrotemplate=MoleculeListOutro
|template=MoleculeShortListRow
|searchlabel= }}
|-
! style="background-color:#eaecf0; padding:10px" colspan="2" |Featured Publication
|-
| style="padding: 30px" colspan="2"| {{#ask: [[Category:Topic]]|limit=1|order=random|searchlabel= }}
|-
! style="background-color:#eaecf0; padding: 10px" | Help
! style="background-color:#eaecf0; padding: 10px" | Media Wiki
|-
| style="padding: 15px" |
* [[Help:Getting Started]]
* [[Help:Create new paper]]
* [[Help:Create new topic]]
| style="padding: 15px" |
*[[mediawikiwiki:Special:MyLanguage/Manual:Configuration_settings|Configuration settings list]]
*[[mediawikiwiki:Special:MyLanguage/Manual:FAQ|MediaWiki FAQ]]
*[https://lists.wikimedia.org/postorius/lists/mediawiki-announce.lists.wikimedia.org/ MediaWiki release mailing list]
*[[mediawikiwiki:Special:MyLanguage/Localisation#Translation_resources|Localise MediaWiki for your language]]
*[[mediawikiwiki:Special:MyLanguage/Manual:Combating_spam|Learn how to combat spam on your wiki]]
*[[mediawikiwiki:Special:MyLanguage/Help:Contents|Media Wiki User's Guide]]
|}

Help:Create new publication

2023-07-11T13:52:59Z

ChN:

This page will guide you in adding a new publication, set of experiments or dataset to the wiki.

== Guidelines to style pages in this wiki ==

'''Auto generated pages according to templates (no edits possible):'''

- literature page (generated from DOI), 
- investigation (generated from investigation template input on publication page), 
- molecule page (only add abbreviation)

=== Publication pages ===
How to generate a new publication page: Authoring → Create a new Paper: enter title (default publication title, check formatting in the wiki), DOI, topic(s) it belongs to → Create paper 
This leads to the new publication page with auto-generated infobox (About) from the DOI-generated literature page

Page titles cannot contain brackets [] or slashes /, or hashtags #. For a full list, see:
https://www.mediawiki.org/wiki/Manual:Page_title

'''Publication pages (and topic pages) are the only ones that can be freely edited! Any changes to molecules or investigations must be made on the publication page. Only exception is adding an abbreviation to a molecule, this happens on the molecule page.'''

Publication pages show the legally available data from published papers. These are:

I) The investigations: Tables with data 
II) Molecules used in the publication

Currently, the pages are structured by the headlines:

1) Catalyst 
2) Photosensitizer 
3) Investigation 
4) Sacrificial electron donor 
5) Additives (optional) 

Each headline is formatted as sub-heading 2
The investigations are named: currently Table 1, Table 2

The appropriate molecules for 1), 2), 4), 5) are drawn under their respective title. Solvents or gas atmosphere don’t need to be drawn, as do small (inorganic) additives.

=== Molecule Drawings ===
To draw molecules in Ketcher 2: 
Bonds between ligands and metal are '''hydrogen bonds''' by default, unless this adds surplus hydrogens to the structure and those hydrogens cannot be removed by an appropriate charge. In this case, use an '''any bond'''.

Remember to add charges on the molecule, especially on metal centers in complexes with counter ions. 
Position ligands with aromatic rings correctly around the center metal atom. Try to avoid using the clean-up function, as this distorts the aromatic rings.

Molecule collections with R-groups: Add R-groups when multiple rests are mentioned in literature. Use different (R1, R2, R3…) groups for different positions on the molecule, unless two positions are always substituted with the same rest. Specify the R-groups in the Ketcher “Define R-groups” menu. 
R-groups can also be used for counter ions: add an unconnected R-group on the top right of the molecule drawing and specify one or multiple counter ions in the “Define R-groups” menu. 
Small organic molecule ligands: draw individually instead of abbreviation 
CO: triple bond, negative charge on C, positive charge on O
(example: https://pubchem.ncbi.nlm.nih.gov/compound/139130150)

'''Drawing molecules correctly is important to generate the right identifiers (InChIKey) and find molecule information in PubChem!'''

=== Investigations ===

Columns with free text but guidelines:

Additives: free text; gases according to list (…) 
Solvent ratio: e. g. 4:1 
Irradiation wavelength: number, “dark” (or empty), description of source 
Columns with numbers: Leave empty when number is not given or zero

=== Comment banner ===

Several comment banners can be found under “Templates”
[[Test MissingTemplates|MissingTemplates]]
[[Test MissingItems|MissingItems]]

Help:Getting Started

2023-07-11T13:52:40Z

ChN:

== Introduction to templates ==
Templates give structure to the wiki and keep the data well organized. There are several templates to choose from for various needs in describing the contents of a publication or set of experiments.

All templates are found under "Insert". The following three are currently implemened:
[[File:WikiTemplate open-book.png|left|frameless]]

==== Literature reference ====
Literature reference templates allow registering literature with a DOI to the wiki database and to cite sources.

Select ''Literature reference'', it will initially say "DOI is empty". Click on the text, select "Edit" and add in a DOI and confirm with "Apply changes". The reference will show an abbreviation in square brackets consting of the initials of the first three words in the title and the last two digits of the year of publication as follows [ABCxx]. Below is an example for the following paper: Krötzsch, Markus; Vrandečić, Denny; Völkel, Max (2006): Semantic MediaWiki. In:. International Semantic Web Conference: Springer, Berlin, Heidelberg, S. 935–942. Online verfügbar unter <nowiki>https://link.springer.com/content/pdf/10.1007/11926078_68.pdf</nowiki> .

{{#literature:|doi=10.1007/11926078_68}}
[[File:WikiTemplate chemistry.png|left|frameless]]

==== Chemical formula ====
The chemical formula template is a way to directly draw a chemical compound (dubbed "molecule") in the wiki. It uses the [https://lifescience.opensource.epam.com/ketcher/ Ketcher 2] editor.

Select ''Chemical formula''. Pressing edit will open the form window and "Open Ketcher" opens the editor. Draw a chemical formula and confirm with "Apply changes". If the compound has R-groups, they need to be specified by selecting "Define R-groups". '''Important:''' Select the correct R-group from the dropdown menu, otherwise it might be an invalid entry. Ideally, the result will look something like the porphyrin ring below.

<chemform smiles="N1=C2/C=C3/C=C/C(=C/C4C=C/C(=C/C5=CC=C(/C=C\1/C=C2)N5)/N=4)/N/3" inchi="1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-" inchikey="RKCAIXNGYQCCAL-CEVVSZFKSA-N" height="200px" width="300px" float="none">
-INDIGO-11142210272D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 28 0 0 0
M V30 BEGIN ATOM
M V30 1 N 5.98871 -4.54988 0.0 0
M V30 2 C 4.56202 -3.74634 0.0 0
M V30 3 C 4.99445 -4.63645 0.0 0
M V30 4 C 5.30731 -3.08612 0.0 0
M V30 5 C 6.17466 -3.60897 0.0 0
M V30 6 N 8.34186 -4.56114 0.0 0
M V30 7 C 8.96423 -3.06908 0.0 0
M V30 8 C 8.11464 -3.60828 0.0 0
M V30 9 C 9.71958 -3.68546 0.0 0
M V30 10 C 9.35762 -4.57836 0.0 0
M V30 11 N 6.135 -6.34275 0.0 0
M V30 12 C 5.55175 -7.86269 0.0 0
M V30 13 C 6.38821 -7.30514 0.0 0
M V30 14 C 4.75198 -7.23278 0.0 0
M V30 15 C 5.10199 -6.32714 0.0 0
M V30 16 C 9.24382 -7.72002 0.0 0
M V30 17 N 8.49132 -6.30084 0.0 0
M V30 18 C 8.34354 -7.24092 0.0 0
M V30 19 C 9.47357 -6.17938 0.0 0
M V30 20 C 9.93544 -7.0252 0.0 0
M V30 21 C 7.13942 -3.14551 0.0 0
M V30 22 C 9.89232 -5.35675 0.0 0
M V30 23 C 7.4039 -7.75203 0.0 0
M V30 24 C 4.53491 -5.48916 0.0 0
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 2 4 2
M V30 5 1 5 4
M V30 6 1 6 10
M V30 7 2 7 8
M V30 8 1 8 6
M V30 9 1 9 7
M V30 10 2 10 9
M V30 11 1 11 15
M V30 12 1 12 13
M V30 13 1 13 11
M V30 14 2 14 12
M V30 15 1 15 14
M V30 16 2 16 20
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 1 19 17
M V30 20 1 20 19
M V30 21 2 5 21
M V30 22 1 21 8
M V30 23 1 10 22
M V30 24 2 22 19
M V30 25 1 18 23
M V30 26 2 23 13
M V30 27 2 15 24
M V30 28 1 24 3
M V30 END BOND
M V30 END CTAB
M END
</chemform>

Every molecule gets assigned a number upon its first registration in the wiki. Should the same molecule be drawn again, it will automatically be recognized as the previously entered structure. Molecules with R-groups will generate "Collections" and the R-groups van be viewed by clicking on '''[Show R-groups]'''.

==== Molecule links ====
Molecule links are used when the molecule that needs to be depicted already exists in the wiki and is referenced with or without image. Select the molecule link and add the ID, abbreviation, or copy the InChIKey of the molecule into the link, then select the checkbox '''Show image''' if desired.

[[File:WikiTemplate experiment.png|left|frameless]]

==== Investigation ====
The investigation template is used to enter experimental data into the wiki. Note that "[https://www.ebi.ac.uk/ols/ontologies/obi/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0000066 Investigation]" designates any kind of planned process performed in a scientific study. There are two kinds of investigations: physical measurements and examinations are termed "[https://www.ebi.ac.uk/ols/ontologies/obi/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0000070 Assay]" and "[https://www.ebi.ac.uk/ols/ontologies/mop/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FMOP_0000543 Molecular process]" denotes any process involving a reaction with one or more chemical compounds. Each investigation in turn consist of individual "experiments" wich are presented as rows in the table.

Selecting the template ''Investigation'' will prompt you to choose a form (e.g. Photocatalytic CO2 reduction) and give the experiments a name. Clicking on "Add experiment", then "+ Add another" will open the form in which to enter the data.

{{#experimentlist:|form=DemoExperiment1|name=batch1}}

==== Investigation link ====
Investigation links are queries used on topic pages to compare all experiments in the wiki. Only experiments of the same investigation type can be compared in one query. The properties of experiments can be queried for desired characteristics, and the experiments ordered by one or more columns. The pages about [https://www.semantic-mediawiki.org/wiki/Help:Semantic_search SMW query syntax] hold more information on how to write queries.

Help:Create new publication

2023-07-11T13:50:33Z

ChN:

This page will guide you in adding a new publication, set of experiments or dataset to the wiki.

== Introduction to templates ==
Templates give structure to the wiki and keep the data well organized. There are several templates to choose from for various needs in describing the contents of a publication or set of experiments.

All templates are found under "Insert". The following three are currently implemened:
[[File:WikiTemplate open-book.png|left|frameless]]

==== Literature reference ====
Literature reference templates allow registering literature with a DOI to the wiki database and to cite sources.

Select ''Literature reference'', it will initially say "DOI is empty". Click on the text, select "Edit" and add in a DOI and confirm with "Apply changes". The reference will show an abbreviation in square brackets consting of the initials of the first three words in the title and the last two digits of the year of publication as follows [ABCxx]. Below is an example for the following paper: Krötzsch, Markus; Vrandečić, Denny; Völkel, Max (2006): Semantic MediaWiki. In:. International Semantic Web Conference: Springer, Berlin, Heidelberg, S. 935–942. Online verfügbar unter <nowiki>https://link.springer.com/content/pdf/10.1007/11926078_68.pdf</nowiki> .

{{#literature:|doi=10.1007/11926078_68}}
[[File:WikiTemplate chemistry.png|left|frameless]]

==== Chemical formula ====
The chemical formula template is a way to directly draw a chemical compound (dubbed "molecule") in the wiki. It uses the [https://lifescience.opensource.epam.com/ketcher/ Ketcher 2] editor.

Select ''Chemical formula''. Pressing edit will open the form window and "Open Ketcher" opens the editor. Draw a chemical formula and confirm with "Apply changes". If the compound has R-groups, they need to be specified by selecting "Define R-groups". '''Important:''' Select the correct R-group from the dropdown menu, otherwise it might be an invalid entry. Ideally, the result will look something like the porphyrin ring below.

<chemform smiles="N1=C2/C=C3/C=C/C(=C/C4C=C/C(=C/C5=CC=C(/C=C\1/C=C2)N5)/N=4)/N/3" inchi="1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-" inchikey="RKCAIXNGYQCCAL-CEVVSZFKSA-N" height="200px" width="300px" float="none">
-INDIGO-11142210272D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 28 0 0 0
M V30 BEGIN ATOM
M V30 1 N 5.98871 -4.54988 0.0 0
M V30 2 C 4.56202 -3.74634 0.0 0
M V30 3 C 4.99445 -4.63645 0.0 0
M V30 4 C 5.30731 -3.08612 0.0 0
M V30 5 C 6.17466 -3.60897 0.0 0
M V30 6 N 8.34186 -4.56114 0.0 0
M V30 7 C 8.96423 -3.06908 0.0 0
M V30 8 C 8.11464 -3.60828 0.0 0
M V30 9 C 9.71958 -3.68546 0.0 0
M V30 10 C 9.35762 -4.57836 0.0 0
M V30 11 N 6.135 -6.34275 0.0 0
M V30 12 C 5.55175 -7.86269 0.0 0
M V30 13 C 6.38821 -7.30514 0.0 0
M V30 14 C 4.75198 -7.23278 0.0 0
M V30 15 C 5.10199 -6.32714 0.0 0
M V30 16 C 9.24382 -7.72002 0.0 0
M V30 17 N 8.49132 -6.30084 0.0 0
M V30 18 C 8.34354 -7.24092 0.0 0
M V30 19 C 9.47357 -6.17938 0.0 0
M V30 20 C 9.93544 -7.0252 0.0 0
M V30 21 C 7.13942 -3.14551 0.0 0
M V30 22 C 9.89232 -5.35675 0.0 0
M V30 23 C 7.4039 -7.75203 0.0 0
M V30 24 C 4.53491 -5.48916 0.0 0
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 2 4 2
M V30 5 1 5 4
M V30 6 1 6 10
M V30 7 2 7 8
M V30 8 1 8 6
M V30 9 1 9 7
M V30 10 2 10 9
M V30 11 1 11 15
M V30 12 1 12 13
M V30 13 1 13 11
M V30 14 2 14 12
M V30 15 1 15 14
M V30 16 2 16 20
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 1 19 17
M V30 20 1 20 19
M V30 21 2 5 21
M V30 22 1 21 8
M V30 23 1 10 22
M V30 24 2 22 19
M V30 25 1 18 23
M V30 26 2 23 13
M V30 27 2 15 24
M V30 28 1 24 3
M V30 END BOND
M V30 END CTAB
M END
</chemform>

Every molecule gets assigned a number upon its first registration in the wiki. Should the same molecule be drawn again, it will automatically be recognized as the previously entered structure. Molecules with R-groups will generate "Collections" and the R-groups van be viewed by clicking on '''[Show R-groups]'''.

==== Molecule links ====
Molecule links are used when the molecule that needs to be depicted already exists in the wiki and is referenced with or without image. Select the molecule link and add the ID, abbreviation, or copy the InChIKey of the molecule into the link, then select the checkbox '''Show image''' if desired.

[[File:WikiTemplate experiment.png|left|frameless]]

==== Investigation ====
The investigation template is used to enter experimental data into the wiki. Note that "[https://www.ebi.ac.uk/ols/ontologies/obi/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0000066 Investigation]" designates any kind of planned process performed in a scientific study. There are two kinds of investigations: physical measurements and examinations are termed "[https://www.ebi.ac.uk/ols/ontologies/obi/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FOBI_0000070 Assay]" and "[https://www.ebi.ac.uk/ols/ontologies/mop/terms?iri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FMOP_0000543 Molecular process]" denotes any process involving a reaction with one or more chemical compounds. Each investigation in turn consist of individual "experiments" wich are presented as rows in the table.

Selecting the template ''Investigation'' will prompt you to choose a form (e.g. Photocatalytic CO2 reduction) and give the experiments a name. Clicking on "Add experiment", then "+ Add another" will open the form in which to enter the data.

{{#experimentlist:|form=DemoExperiment1|name=batch1}}

==== Investigation link ====
Investigation links are queries used on topic pages to compare all experiments in the wiki. Only experiments of the same investigation type can be compared in one query. The properties of experiments can be queried for desired characteristics, and the experiments ordered by one or more columns. The pages about [https://www.semantic-mediawiki.org/wiki/Help:Semantic_search SMW query syntax] hold more information on how to write queries.

Category:Molecule overviews

2023-07-11T13:36:41Z

ChN: Linked pages, comment

This category page links to pages that store a group of structurally or functionally similar molecules, which might be used in multiple publication pages.

* [[Organic Solvents]]
* [[Phenoxazine sensitizers]]
* [[:Category:Photocatalytic CO2 conversion to HCOOH|Sacrificial electron donors]]

Phenoxazine sensitizers

2023-07-11T13:33:02Z

ChN:

<chemform smiles="C1C(C2C=CC(C3C=CC=CC=3)=CC=2)=CC2OC3C=C(C4C=CC(C5C=CC=CC=5)=CC=4)C=CC=3N(C3C4C=CC=CC=4C=CC=3)C=2C=1" inchi="1S/C46H31NO/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)39-26-28-43-45(30-39)48-46-31-40(37-24-20-35(21-25-37)33-12-5-2-6-13-33)27-29-44(46)47(43)42-17-9-15-38-14-7-8-16-41(38)42/h1-31H" inchikey="IGGSSEOAGCUGDJ-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-06262311202D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 48 56 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.95985 -4.85007 0.0 0
M V30 2 C 7.69015 -4.84959 0.0 0
M V30 3 C 6.82664 -4.34997 0.0 0
M V30 4 C 7.69015 -5.85053 0.0 0
M V30 5 C 5.95985 -5.85502 0.0 0
M V30 6 C 6.82882 -6.35003 0.0 0
M V30 7 N 8.55465 -4.35121 0.0 0
M V30 8 C 9.42183 -4.85155 0.0 0
M V30 9 O 8.5608 -6.35287 0.0 0
M V30 10 C 9.42403 -5.84746 0.0 0
M V30 11 C 10.2809 -4.35378 0.0 0
M V30 12 C 11.1448 -4.84969 0.0 0
M V30 13 C 10.2914 -6.34535 0.0 0
M V30 14 C 11.1492 -5.84059 0.0 0
M V30 15 C 8.55465 -3.35121 0.0 0
M V30 16 C 7.68807 -1.85355 0.0 0
M V30 17 C 7.68781 -2.85119 0.0 0
M V30 18 C 8.55458 -1.3525 0.0 0
M V30 19 C 9.42462 -2.84816 0.0 0
M V30 20 C 9.41816 -1.8481 0.0 0
M V30 21 C 10.2787 -1.34459 0.0 0
M V30 22 C 11.1483 -1.83888 0.0 0
M V30 23 C 10.2977 -3.34443 0.0 0
M V30 24 C 11.1569 -2.83389 0.0 0
M V30 25 C 5.09382 -6.35502 0.0 0
M V30 26 C 4.2301 -7.85433 0.0 0
M V30 27 C 5.09421 -7.35573 0.0 0
M V30 28 C 3.36292 -7.35444 0.0 0
M V30 29 C 4.22318 -5.85313 0.0 0
M V30 30 C 3.36034 -6.35875 0.0 0
M V30 31 C 2.4969 -7.85444 0.0 0
M V30 32 C 1.63317 -9.35374 0.0 0
M V30 33 C 2.49728 -8.85515 0.0 0
M V30 34 C 0.765993 -8.85385 0.0 0
M V30 35 C 1.62625 -7.35255 0.0 0
M V30 36 C 0.763409 -7.85817 0.0 0
M V30 37 C 12.0152 -6.34059 0.0 0
M V30 38 C 13.7455 -6.33894 0.0 0
M V30 39 C 12.8817 -5.8399 0.0 0
M V30 40 C 13.7462 -7.33988 0.0 0
M V30 41 C 12.0159 -7.34553 0.0 0
M V30 42 C 12.8852 -7.83996 0.0 0
M V30 43 C 14.6122 -7.83988 0.0 0
M V30 44 C 16.3425 -7.83824 0.0 0
M V30 45 C 15.4787 -7.3392 0.0 0
M V30 46 C 16.3432 -8.83918 0.0 0
M V30 47 C 14.6129 -8.84483 0.0 0
M V30 48 C 15.4822 -9.33926 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 8 7
M V30 8 1 4 9
M V30 9 1 7 2
M V30 10 1 9 10
M V30 11 2 10 8
M V30 12 2 12 11
M V30 13 1 10 13
M V30 14 1 11 8
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 2 22 21
M V30 25 1 19 23
M V30 26 1 21 20
M V30 27 2 23 24
M V30 28 1 24 22
M V30 29 1 5 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 28 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 14 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 40 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><chemform smiles="C1C(C2C=CC(OC)=CC=2)=CC2OC3C=C(C4C=CC(OC)=CC=4)C=CC=3N(C3=CC4C=CC=CC=4C=C3)C=2C=1" inchi="1S/C36H27NO3/c1-38-31-15-8-25(9-16-31)28-12-19-33-35(22-28)40-36-23-29(26-10-17-32(39-2)18-11-26)13-20-34(36)37(33)30-14-7-24-5-3-4-6-27(24)21-30/h3-23H,1-2H3" inchikey="WKYXCCICHXAEHL-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-06262311212D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 40 46 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.83485 -4.47507 0.0 0
M V30 2 C 6.56515 -4.47459 0.0 0
M V30 3 C 5.70164 -3.97497 0.0 0
M V30 4 C 6.56515 -5.47553 0.0 0
M V30 5 C 4.83485 -5.48002 0.0 0
M V30 6 C 5.70382 -5.97503 0.0 0
M V30 7 N 7.42965 -3.97621 0.0 0
M V30 8 C 8.29683 -4.47655 0.0 0
M V30 9 O 7.4358 -5.97787 0.0 0
M V30 10 C 8.29903 -5.47246 0.0 0
M V30 11 C 9.15588 -3.97878 0.0 0
M V30 12 C 10.0198 -4.47469 0.0 0
M V30 13 C 9.16641 -5.97035 0.0 0
M V30 14 C 10.0242 -5.46559 0.0 0
M V30 15 C 7.42965 -2.97621 0.0 0
M V30 16 C 6.56307 -1.47855 0.0 0
M V30 17 C 6.56281 -2.47619 0.0 0
M V30 18 C 7.42958 -0.977499 0.0 0
M V30 19 C 8.29962 -2.47316 0.0 0
M V30 20 C 8.29316 -1.4731 0.0 0
M V30 21 C 7.42764 0.0151224 0.0 0
M V30 22 C 8.28869 0.515563 0.0 0
M V30 23 C 9.15765 -0.970661 0.0 0
M V30 24 C 9.14902 0.0243512 0.0 0
M V30 25 C 3.96882 -5.98002 0.0 0
M V30 26 C 3.1051 -7.47933 0.0 0
M V30 27 C 3.96921 -6.98073 0.0 0
M V30 28 C 2.23792 -6.97944 0.0 0
M V30 29 C 3.09818 -5.47813 0.0 0
M V30 30 C 2.23534 -5.98375 0.0 0
M V30 31 C 10.8902 -5.96559 0.0 0
M V30 32 C 12.6205 -5.96394 0.0 0
M V30 33 C 11.7567 -5.4649 0.0 0
M V30 34 C 12.6212 -6.96488 0.0 0
M V30 35 C 10.8909 -6.97053 0.0 0
M V30 36 C 11.7602 -7.46496 0.0 0
M V30 37 O 1.3719 -7.47944 0.0 0
M V30 38 O 13.4872 -7.46488 0.0 0
M V30 39 C 0.50587 -7.97944 0.0 0
M V30 40 C 14.3532 -7.96488 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 8 7
M V30 8 1 4 9
M V30 9 1 7 2
M V30 10 1 9 10
M V30 11 2 10 8
M V30 12 2 12 11
M V30 13 1 10 13
M V30 14 1 11 8
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 7 15
M V30 18 1 17 15
M V30 19 1 18 16
M V30 20 2 15 19
M V30 21 2 16 17
M V30 22 1 19 20
M V30 23 2 20 18
M V30 24 2 22 21
M V30 25 1 20 23
M V30 26 1 21 18
M V30 27 2 23 24
M V30 28 1 24 22
M V30 29 1 5 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 14 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 28 37
M V30 44 1 34 38
M V30 45 1 37 39
M V30 46 1 38 40
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C(C2C=CC(C3C=CC(C#N)=CC=3)=CC=2)=CC2OC3C=C(C4C=CC(C5C=CC(C#N)=CC=5)=CC=4)C=CC=3N(C3=CC4C=CC=CC=4C=C3)C=2C=1" inchi="1S/C48H29N3O/c49-30-32-5-9-35(10-6-32)37-13-17-39(18-14-37)42-22-25-45-47(28-42)52-48-29-43(40-19-15-38(16-20-40)36-11-7-33(31-50)8-12-36)23-26-46(48)51(45)44-24-21-34-3-1-2-4-41(34)27-44/h1-29H" inchikey="HDOFYEULLIFSQY-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-06262311232D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 52 60 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.65985 -5.85007 0.0 0
M V30 2 C 7.39015 -5.84959 0.0 0
M V30 3 C 6.52664 -5.34997 0.0 0
M V30 4 C 7.39015 -6.85053 0.0 0
M V30 5 C 5.65985 -6.85502 0.0 0
M V30 6 C 6.52882 -7.35003 0.0 0
M V30 7 N 8.25465 -5.35121 0.0 0
M V30 8 C 9.12183 -5.85155 0.0 0
M V30 9 O 8.2608 -7.35287 0.0 0
M V30 10 C 9.12403 -6.84746 0.0 0
M V30 11 C 9.98088 -5.35378 0.0 0
M V30 12 C 10.8448 -5.84969 0.0 0
M V30 13 C 9.99141 -7.34535 0.0 0
M V30 14 C 10.8492 -6.84059 0.0 0
M V30 15 C 4.79382 -7.35502 0.0 0
M V30 16 C 3.9301 -8.85433 0.0 0
M V30 17 C 4.79421 -8.35573 0.0 0
M V30 18 C 3.06292 -8.35444 0.0 0
M V30 19 C 3.92318 -6.85313 0.0 0
M V30 20 C 3.06034 -7.35875 0.0 0
M V30 21 C 2.1969 -8.85444 0.0 0
M V30 22 C 1.33317 -10.3537 0.0 0
M V30 23 C 2.19728 -9.85515 0.0 0
M V30 24 C 0.465993 -9.85385 0.0 0
M V30 25 C 1.32625 -8.35255 0.0 0
M V30 26 C 0.463409 -8.85817 0.0 0
M V30 27 C 11.7152 -7.34059 0.0 0
M V30 28 C 13.4455 -7.33894 0.0 0
M V30 29 C 12.5817 -6.8399 0.0 0
M V30 30 C 13.4462 -8.33988 0.0 0
M V30 31 C 11.7159 -8.34553 0.0 0
M V30 32 C 12.5852 -8.83996 0.0 0
M V30 33 C 14.3122 -8.83988 0.0 0
M V30 34 C 16.0425 -8.83824 0.0 0
M V30 35 C 15.1787 -8.3392 0.0 0
M V30 36 C 16.0432 -9.83918 0.0 0
M V30 37 C 14.3129 -9.84483 0.0 0
M V30 38 C 15.1822 -10.3393 0.0 0
M V30 39 C 8.25465 -4.35121 0.0 0
M V30 40 C 7.38807 -2.85355 0.0 0
M V30 41 C 7.38781 -3.85119 0.0 0
M V30 42 C 8.25458 -2.3525 0.0 0
M V30 43 C 9.12462 -3.84816 0.0 0
M V30 44 C 9.11816 -2.8481 0.0 0
M V30 45 C 8.25264 -1.35988 0.0 0
M V30 46 C 9.11369 -0.859437 0.0 0
M V30 47 C 9.98265 -2.34566 0.0 0
M V30 48 C 9.97402 -1.35065 0.0 0
M V30 49 C 16.9092 -10.3392 0.0 0
M V30 50 C -0.400033 -10.3539 0.0 0
M V30 51 N 17.7752 -10.8392 0.0 0
M V30 52 N -1.26606 -10.8539 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 8 7
M V30 8 1 4 9
M V30 9 1 7 2
M V30 10 1 9 10
M V30 11 2 10 8
M V30 12 2 12 11
M V30 13 1 10 13
M V30 14 1 11 8
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 5 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 18 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 14 27
M V30 32 2 29 27
M V30 33 2 30 28
M V30 34 1 27 31
M V30 35 1 28 29
M V30 36 2 31 32
M V30 37 1 32 30
M V30 38 1 30 33
M V30 39 2 35 33
M V30 40 2 36 34
M V30 41 1 33 37
M V30 42 1 34 35
M V30 43 2 37 38
M V30 44 1 38 36
M V30 45 1 7 39
M V30 46 1 41 39
M V30 47 1 42 40
M V30 48 2 39 43
M V30 49 2 40 41
M V30 50 1 43 44
M V30 51 2 44 42
M V30 52 2 46 45
M V30 53 1 44 47
M V30 54 1 45 42
M V30 55 2 47 48
M V30 56 1 48 46
M V30 57 1 36 49
M V30 58 1 24 50
M V30 59 3 49 51
M V30 60 3 50 52
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C(C2C=CC(C(F)(F)F)=CC=2)=CC2OC3C=C(C4C=CC(C(F)(F)F)=CC=4)C=CC=3N(C3=CC4C=CC=CC=4C=C3)C=2C=1" inchi="1S/C36H21F6NO/c37-35(38,39)28-12-5-23(6-13-28)26-10-17-31-33(20-26)44-34-21-27(24-7-14-29(15-8-24)36(40,41)42)11-18-32(34)43(31)30-16-9-22-3-1-2-4-25(22)19-30/h1-21H" inchikey="ZIGQSGYNHLDFOD-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-06262311242D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 50 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.30985 -5.47507 0.0 0
M V30 2 C 8.04015 -5.47459 0.0 0
M V30 3 C 7.17664 -4.97497 0.0 0
M V30 4 C 8.04015 -6.47553 0.0 0
M V30 5 C 6.30985 -6.48002 0.0 0
M V30 6 C 7.17882 -6.97503 0.0 0
M V30 7 N 8.90465 -4.97621 0.0 0
M V30 8 C 9.77183 -5.47655 0.0 0
M V30 9 O 8.9108 -6.97787 0.0 0
M V30 10 C 9.77403 -6.47246 0.0 0
M V30 11 C 10.6309 -4.97878 0.0 0
M V30 12 C 11.4948 -5.47469 0.0 0
M V30 13 C 10.6414 -6.97035 0.0 0
M V30 14 C 11.4992 -6.46559 0.0 0
M V30 15 C 8.90465 -3.97621 0.0 0
M V30 16 C 8.03807 -2.47855 0.0 0
M V30 17 C 8.03781 -3.47619 0.0 0
M V30 18 C 8.90458 -1.9775 0.0 0
M V30 19 C 9.77462 -3.47316 0.0 0
M V30 20 C 9.76816 -2.4731 0.0 0
M V30 21 C 8.90264 -0.984878 0.0 0
M V30 22 C 9.76369 -0.484437 0.0 0
M V30 23 C 10.6326 -1.97066 0.0 0
M V30 24 C 10.624 -0.975649 0.0 0
M V30 25 C 5.44382 -6.98002 0.0 0
M V30 26 C 4.5801 -8.47933 0.0 0
M V30 27 C 5.44421 -7.98073 0.0 0
M V30 28 C 3.71292 -7.97944 0.0 0
M V30 29 C 4.57318 -6.47813 0.0 0
M V30 30 C 3.71034 -6.98375 0.0 0
M V30 31 C 12.3652 -6.96559 0.0 0
M V30 32 C 14.0955 -6.96394 0.0 0
M V30 33 C 13.2317 -6.4649 0.0 0
M V30 34 C 14.0962 -7.96488 0.0 0
M V30 35 C 12.3659 -7.97053 0.0 0
M V30 36 C 13.2352 -8.46496 0.0 0
M V30 37 C 2.8469 -8.47944 0.0 0
M V30 38 C 14.9622 -8.46488 0.0 0
M V30 39 F 15.6693 -7.75778 0.0 0
M V30 40 F 15.6693 -9.17199 0.0 0
M V30 41 F 14.4622 -9.33091 0.0 0
M V30 42 F 2.13979 -9.18654 0.0 0
M V30 43 F 3.3469 -9.34546 0.0 0
M V30 44 F 2.13979 -7.77233 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 8 7
M V30 8 1 4 9
M V30 9 1 7 2
M V30 10 1 9 10
M V30 11 2 10 8
M V30 12 2 12 11
M V30 13 1 10 13
M V30 14 1 11 8
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 7 15
M V30 18 1 17 15
M V30 19 1 18 16
M V30 20 2 15 19
M V30 21 2 16 17
M V30 22 1 19 20
M V30 23 2 20 18
M V30 24 2 22 21
M V30 25 1 20 23
M V30 26 1 21 18
M V30 27 2 23 24
M V30 28 1 24 22
M V30 29 1 5 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 14 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 28 37
M V30 44 1 34 38
M V30 45 1 38 39
M V30 46 1 38 40
M V30 47 1 38 41
M V30 48 1 37 42
M V30 49 1 37 43
M V30 50 1 37 44
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C1C2OC3C=C(C4C=CC(N(C5C=CC=CC=5)C5C=CC=CC=5)=CC=4)C=CC=3N(C3=CC4C=CC=CC=4C=C3)C=2C=CC=1C1C=CC(N(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1" inchi="1S/C58H41N3O/c1-5-17-48(18-6-1)59(49-19-7-2-8-20-49)52-32-25-43(26-33-52)46-30-37-55-57(40-46)62-58-41-47(31-38-56(58)61(55)54-36-29-42-15-13-14-16-45(42)39-54)44-27-34-53(35-28-44)60(50-21-9-3-10-22-50)51-23-11-4-12-24-51/h1-41H" inchikey="JUDLWUDCWSBXOA-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-06262311282D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 62 72 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.59963 -6.59921 0.0 0
M V30 2 C 5.73406 -5.10096 0.0 0
M V30 3 C 5.73313 -6.0986 0.0 0
M V30 4 C 6.6009 -4.60049 0.0 0
M V30 5 C 7.46994 -6.09673 0.0 0
M V30 6 C 7.46414 -5.09667 0.0 0
M V30 7 N 8.32499 -4.59374 0.0 0
M V30 8 C 9.1943 -5.08861 0.0 0
M V30 9 O 8.34272 -6.59359 0.0 0
M V30 10 C 9.20227 -6.08363 0.0 0
M V30 11 C 10.0497 -4.58631 0.0 0
M V30 12 C 10.9157 -5.07678 0.0 0
M V30 13 C 10.0718 -6.57607 0.0 0
M V30 14 C 10.9259 -6.06678 0.0 0
M V30 15 C 8.32499 -3.59374 0.0 0
M V30 16 C 7.45842 -2.09607 0.0 0
M V30 17 C 7.45816 -3.09371 0.0 0
M V30 18 C 8.32492 -1.59502 0.0 0
M V30 19 C 9.19496 -3.09068 0.0 0
M V30 20 C 9.1885 -2.09063 0.0 0
M V30 21 C 8.32299 -0.602401 0.0 0
M V30 22 C 9.18403 -0.10196 0.0 0
M V30 23 C 10.053 -1.58818 0.0 0
M V30 24 C 10.0444 -0.593172 0.0 0
M V30 25 C 4.8671 -6.5986 0.0 0
M V30 26 C 4.00338 -8.09791 0.0 0
M V30 27 C 4.86748 -7.59931 0.0 0
M V30 28 C 3.1362 -7.59802 0.0 0
M V30 29 C 3.99646 -6.09671 0.0 0
M V30 30 C 3.13362 -6.60233 0.0 0
M V30 31 C 11.7919 -6.56678 0.0 0
M V30 32 C 13.5222 -6.56513 0.0 0
M V30 33 C 12.6583 -6.06609 0.0 0
M V30 34 C 13.5229 -7.56608 0.0 0
M V30 35 C 11.7926 -7.57173 0.0 0
M V30 36 C 12.6619 -8.06616 0.0 0
M V30 37 N 14.3889 -8.06608 0.0 0
M V30 38 N 2.27017 -8.09802 0.0 0
M V30 39 C 2.27017 -9.09802 0.0 0
M V30 40 C 3.13675 -10.5957 0.0 0
M V30 41 C 3.13701 -9.59804 0.0 0
M V30 42 C 2.27024 -11.0967 0.0 0
M V30 43 C 1.4002 -9.60107 0.0 0
M V30 44 C 1.40666 -10.6011 0.0 0
M V30 45 C 1.40415 -7.59802 0.0 0
M V30 46 C -0.326153 -7.59966 0.0 0
M V30 47 C 0.537695 -8.0987 0.0 0
M V30 48 C -0.326824 -6.59872 0.0 0
M V30 49 C 1.40347 -6.59307 0.0 0
M V30 50 C 0.534171 -6.09864 0.0 0
M V30 51 C 15.2549 -7.56608 0.0 0
M V30 52 C 16.1186 -6.06677 0.0 0
M V30 53 C 15.2545 -6.56536 0.0 0
M V30 54 C 16.9858 -6.56666 0.0 0
M V30 55 C 16.1256 -8.06797 0.0 0
M V30 56 C 16.9884 -7.56234 0.0 0
M V30 57 C 14.3889 -9.06608 0.0 0
M V30 58 C 15.2555 -10.5637 0.0 0
M V30 59 C 15.2557 -9.5661 0.0 0
M V30 60 C 14.389 -11.0648 0.0 0
M V30 61 C 13.5189 -9.56913 0.0 0
M V30 62 C 13.5254 -10.5692 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 8 7
M V30 8 1 5 9
M V30 9 1 7 6
M V30 10 1 9 10
M V30 11 2 10 8
M V30 12 2 12 11
M V30 13 1 10 13
M V30 14 1 11 8
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 7 15
M V30 18 1 17 15
M V30 19 1 18 16
M V30 20 2 15 19
M V30 21 2 16 17
M V30 22 1 19 20
M V30 23 2 20 18
M V30 24 2 22 21
M V30 25 1 20 23
M V30 26 1 21 18
M V30 27 2 23 24
M V30 28 1 24 22
M V30 29 1 3 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 14 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 34 37
M V30 44 1 28 38
M V30 45 1 38 39
M V30 46 2 41 39
M V30 47 2 42 40
M V30 48 1 39 43
M V30 49 1 40 41
M V30 50 2 43 44
M V30 51 1 44 42
M V30 52 1 38 45
M V30 53 2 47 45
M V30 54 2 48 46
M V30 55 1 45 49
M V30 56 1 46 47
M V30 57 2 49 50
M V30 58 1 50 48
M V30 59 1 37 51
M V30 60 2 53 51
M V30 61 2 54 52
M V30 62 1 51 55
M V30 63 1 52 53
M V30 64 2 55 56
M V30 65 1 56 54
M V30 66 1 37 57
M V30 67 2 59 57
M V30 68 2 60 58
M V30 69 1 57 61
M V30 70 1 58 59
M V30 71 2 61 62
M V30 72 1 62 60
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C12N(C3=CC4C=CC=CC=4C=C3)C3C=CC(C4=CC=C5C=CC6=CC=CC7C=CC4=C5C6=7)=CC=3OC=1C=C(C1=C3C=CC4=CC=CC5C=CC(=C3C4=5)C=C1)C=C2" inchi="1S/C54H31NO/c1-2-6-39-29-42(22-15-32(39)5-1)55-47-27-20-40(43-23-16-37-13-11-33-7-3-9-35-18-25-45(43)53(37)51(33)35)30-49(47)56-50-31-41(21-28-48(50)55)44-24-17-38-14-12-34-8-4-10-36-19-26-46(44)54(38)52(34)36/h1-31H" inchikey="JLXPQUVLGFUEHE-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-06262311322D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 56 68 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.25985 -5.57507 0.0 0
M V30 2 C 9.99015 -5.57459 0.0 0
M V30 3 C 9.12664 -5.07497 0.0 0
M V30 4 C 9.99015 -6.57553 0.0 0
M V30 5 C 8.25985 -6.58002 0.0 0
M V30 6 C 9.12882 -7.07503 0.0 0
M V30 7 O 7.3919 -7.08039 0.0 0
M V30 8 C 6.52124 -6.57805 0.0 0
M V30 9 N 7.38572 -5.07073 0.0 0
M V30 10 C 6.51903 -5.57816 0.0 0
M V30 11 C 5.65876 -7.07782 0.0 0
M V30 12 C 4.79138 -6.57992 0.0 0
M V30 13 C 5.64818 -5.07827 0.0 0
M V30 14 C 4.78697 -5.58506 0.0 0
M V30 15 C 7.38572 -4.07073 0.0 0
M V30 16 C 6.51914 -2.57307 0.0 0
M V30 17 C 6.51888 -3.5707 0.0 0
M V30 18 C 7.38565 -2.07201 0.0 0
M V30 19 C 8.25569 -3.56767 0.0 0
M V30 20 C 8.24922 -2.56762 0.0 0
M V30 21 C 7.38371 -1.07939 0.0 0
M V30 22 C 8.24476 -0.578953 0.0 0
M V30 23 C 9.11372 -2.06518 0.0 0
M V30 24 C 9.10508 -1.07016 0.0 0
M V30 25 C 3.92535 -7.07992 0.0 0
M V30 26 C 3.06162 -8.57923 0.0 0
M V30 27 C 3.92573 -8.08064 0.0 0
M V30 28 C 2.19445 -8.07934 0.0 0
M V30 29 C 3.05471 -6.57803 0.0 0
M V30 30 C 2.19186 -7.08366 0.0 0
M V30 31 C 3.06165 -9.57709 0.0 0
M V30 32 C 2.19509 -10.0785 0.0 0
M V30 33 C 1.32442 -8.58276 0.0 0
M V30 34 C 1.33117 -9.58304 0.0 0
M V30 35 C 4.7866 -8.5787 0.0 0
M V30 36 C 4.78663 -9.57656 0.0 0
M V30 37 C 3.92796 -10.0745 0.0 0
M V30 38 C 3.92823 -11.0748 0.0 0
M V30 39 C 3.06172 -11.5758 0.0 0
M V30 40 C 2.19814 -11.0802 0.0 0
M V30 41 C 10.8562 -7.07553 0.0 0
M V30 42 C 12.5865 -7.07389 0.0 0
M V30 43 C 11.7226 -6.57484 0.0 0
M V30 44 C 12.5871 -8.07483 0.0 0
M V30 45 C 10.8568 -8.08048 0.0 0
M V30 46 C 11.7262 -8.57491 0.0 0
M V30 47 C 11.732 -9.57189 0.0 0
M V30 48 C 10.8691 -10.0779 0.0 0
M V30 49 C 9.99051 -8.58849 0.0 0
M V30 50 C 10.003 -9.58785 0.0 0
M V30 51 C 13.4478 -8.56946 0.0 0
M V30 52 C 13.4506 -9.56537 0.0 0
M V30 53 C 12.5951 -10.0648 0.0 0
M V30 54 C 12.5985 -11.0696 0.0 0
M V30 55 C 11.732 -11.5706 0.0 0
M V30 56 C 10.8684 -11.075 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 1 8 7
M V30 8 1 1 9
M V30 9 1 7 5
M V30 10 1 9 10
M V30 11 2 10 8
M V30 12 2 12 11
M V30 13 1 10 13
M V30 14 1 11 8
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 9 15
M V30 18 1 17 15
M V30 19 1 18 16
M V30 20 2 15 19
M V30 21 2 16 17
M V30 22 1 19 20
M V30 23 2 20 18
M V30 24 2 22 21
M V30 25 1 20 23
M V30 26 1 21 18
M V30 27 2 23 24
M V30 28 1 24 22
M V30 29 1 12 25
M V30 30 1 27 25
M V30 31 1 28 26
M V30 32 2 25 29
M V30 33 2 26 27
M V30 34 1 29 30
M V30 35 2 30 28
M V30 36 1 32 31
M V30 37 1 28 33
M V30 38 1 31 26
M V30 39 2 33 34
M V30 40 1 34 32
M V30 41 2 36 35
M V30 42 1 35 27
M V30 43 2 31 37
M V30 44 1 37 36
M V30 45 2 39 38
M V30 46 1 40 39
M V30 47 1 38 37
M V30 48 2 32 40
M V30 49 1 4 41
M V30 50 1 43 41
M V30 51 1 44 42
M V30 52 2 41 45
M V30 53 2 42 43
M V30 54 1 45 46
M V30 55 2 46 44
M V30 56 1 48 47
M V30 57 1 45 49
M V30 58 1 47 46
M V30 59 2 49 50
M V30 60 1 50 48
M V30 61 2 52 51
M V30 62 1 51 44
M V30 63 2 47 53
M V30 64 1 53 52
M V30 65 2 55 54
M V30 66 1 56 55
M V30 67 1 54 53
M V30 68 2 48 56
M V30 END BOND
M V30 END CTAB
M END
</chemform>

<chemform smiles="C1C=CC2N(C3=CC4C=CC=CC=4C=C3)C3C=CC=CC=3N(C3=CC4C=CC=CC=4C=C3)C=2C=1" inchi="1S/C32H22N2/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H" inchikey="HPIOBCHPZVAATK-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-06282310412D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 34 40 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.95985 -5.22507 0.0 0
M V30 2 C 8.69015 -5.22459 0.0 0
M V30 3 C 7.82664 -4.72497 0.0 0
M V30 4 C 8.69015 -6.22553 0.0 0
M V30 5 C 6.95985 -6.23002 0.0 0
M V30 6 C 7.82882 -6.72503 0.0 0
M V30 7 N 9.55465 -4.72621 0.0 0
M V30 8 C 10.4218 -5.22655 0.0 0
M V30 9 N 9.5608 -6.72787 0.0 0
M V30 10 C 10.424 -6.22246 0.0 0
M V30 11 C 11.2809 -4.72878 0.0 0
M V30 12 C 12.1448 -5.22469 0.0 0
M V30 13 C 11.2914 -6.72035 0.0 0
M V30 14 C 12.1492 -6.21559 0.0 0
M V30 15 C 9.55465 -3.72621 0.0 0
M V30 16 C 8.68807 -2.22855 0.0 0
M V30 17 C 8.68781 -3.22619 0.0 0
M V30 18 C 9.55458 -1.7275 0.0 0
M V30 19 C 10.4246 -3.22316 0.0 0
M V30 20 C 10.4182 -2.2231 0.0 0
M V30 21 C 9.55264 -0.734878 0.0 0
M V30 22 C 10.4137 -0.234437 0.0 0
M V30 23 C 11.2826 -1.72066 0.0 0
M V30 24 C 11.274 -0.725649 0.0 0
M V30 25 C 9.5608 -7.72787 0.0 0
M V30 26 C 10.4274 -9.22553 0.0 0
M V30 27 C 10.4276 -8.22789 0.0 0
M V30 28 C 9.56087 -9.72658 0.0 0
M V30 29 C 8.69083 -8.23092 0.0 0
M V30 30 C 8.69729 -9.23098 0.0 0
M V30 31 C 9.56281 -10.7192 0.0 0
M V30 32 C 8.70176 -11.2196 0.0 0
M V30 33 C 7.8328 -9.73342 0.0 0
M V30 34 C 7.84143 -10.7284 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 8 7
M V30 8 1 4 9
M V30 9 1 7 2
M V30 10 1 9 10
M V30 11 2 10 8
M V30 12 2 12 11
M V30 13 1 10 13
M V30 14 1 11 8
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 7 15
M V30 18 1 17 15
M V30 19 1 18 16
M V30 20 2 15 19
M V30 21 2 16 17
M V30 22 1 19 20
M V30 23 2 20 18
M V30 24 2 22 21
M V30 25 1 20 23
M V30 26 1 21 18
M V30 27 2 23 24
M V30 28 1 24 22
M V30 29 1 9 25
M V30 30 1 27 25
M V30 31 1 28 26
M V30 32 2 25 29
M V30 33 2 26 27
M V30 34 1 29 30
M V30 35 2 30 28
M V30 36 2 32 31
M V30 37 1 30 33
M V30 38 1 31 28
M V30 39 2 33 34
M V30 40 1 34 32
M V30 END BOND
M V30 END CTAB
M END
</chemform>

[[Category:Molecule overviews]]

Organic Solvents

2023-07-11T13:32:01Z

ChN:

<chemform smiles="CCO" inchi="1S/C2H6O/c1-2-3/h3H,2H2,1H3" inchikey="LFQSCWFLJHTTHZ-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-10182215392D

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 C 6.14093 -5.48382 0.0 0
M V30 2 C 6.84803 -4.77671 0.0 0
M V30 3 O 7.81396 -5.03553 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 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="CO" inchi="1S/CH4O/c1-2/h2H,1H3" inchikey="OKKJLVBELUTLKV-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-10182215392D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 2 1 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.525 -4.7 0.0 0
M V30 2 O 7.525 -4.7 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="CN(C=O)C" inchi="1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" inchikey="ZMXDDKWLCZADIW-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-10182215412D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 5 4 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.04428 -4.83832 0.0 0
M V30 2 N 5.02679 -4.74882 0.0 0
M V30 3 C 5.44571 -3.83214 0.0 0
M V30 4 C 5.6111 -5.56497 0.0 0
M V30 5 O 6.6077 -5.46299 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 2 4 5
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="C(C)#N" inchi="1S/C2H3N/c1-2-3/h1H3" inchikey="WEVYAHXRMPXWCK-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-10182215432D

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 C 6.025 -5.175 0.0 0
M V30 2 N 7.025 -5.175 0.0 0
M V30 3 C 5.025 -5.175 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 3 1 2
M V30 2 1 1 3
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="CC(=O)N(C)C" inchi="1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" inchikey="FXHOOIRPVKKKFG-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-10182215452D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 6 5 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.29443 -5.92131 0.0 0
M V30 2 C 7.79449 -5.05529 0.0 0
M V30 3 N 6.79449 -5.05529 0.0 0
M V30 4 C 6.29443 -4.18926 0.0 0
M V30 5 C 6.29443 -5.92132 0.0 0
M V30 6 O 8.29443 -4.18927 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 3 4
M V30 4 1 3 5
M V30 5 2 2 6
M V30 END BOND
M V30 END CTAB
M END
</chemform><chemform smiles="N(C)1CCCC1=O" inchi="1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" inchikey="SECXISVLQFMRJM-UHFFFAOYSA-N" height="200px" width="300px" float="none">
-INDIGO-10182215472D

0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 7 7 0 0 0
M V30 BEGIN ATOM
M V30 1 N 6.55 -4.40556 0.0 0
M V30 2 C 7.35899 -4.99335 0.0 0
M V30 3 C 7.04999 -5.94444 0.0 0
M V30 4 C 6.05001 -5.94444 0.0 0
M V30 5 C 5.74101 -4.99335 0.0 0
M V30 6 C 6.55 -3.40556 0.0 0
M V30 7 O 8.31005 -4.68433 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 3 4
M V30 4 1 4 5
M V30 5 1 5 1
M V30 6 1 1 6
M V30 7 2 2 7
M V30 END BOND
M V30 END CTAB
M END
</chemform>

[[Category:Molecule overviews]]

Help:Getting Started

2023-07-11T09:55:29Z

ChN:

== Guidelines to style pages in this wiki ==

'''Auto generated pages according to templates (no edits possible):'''

- literature page (generated from DOI), 
- investigation (generated from investigation template input on publication page), 
- molecule page (only add abbreviation)

=== Publication pages ===
How to generate a new publication page: Authoring → Create a new Paper: enter title (default publication title, check formatting in the wiki), DOI, topic(s) it belongs to → Create paper 
This leads to the new publication page with auto-generated infobox (About) from the DOI-generated literature page

Page titles cannot contain brackets [] or slashes /, or hashtags #. For a full list, see:
https://www.mediawiki.org/wiki/Manual:Page_title

'''Publication pages (and topic pages) are the only ones that can be freely edited! Any changes to molecules or investigations must be made on the publication page. Only exception is adding an abbreviation to a molecule, this happens on the molecule page.'''

Publication pages show the legally available data from published papers. These are:

I) The investigations: Tables with data 
II) Molecules used in the publication

Currently, the pages are structured by the headlines:

1) Catalyst 
2) Photosensitizer 
3) Investigation 
4) Sacrificial electron donor 
5) Additives (optional) 

Each headline is formatted as sub-heading 2
The investigations are named: currently Table 1, Table 2

The appropriate molecules for 1), 2), 4), 5) are drawn under their respective title. Solvents or gas atmosphere don’t need to be drawn, as do small (inorganic) additives.

=== Molecule Drawings ===
To draw molecules in Ketcher 2: 
Bonds between ligands and metal are '''hydrogen bonds''' by default, unless this adds surplus hydrogens to the structure and those hydrogens cannot be removed by an appropriate charge. In this case, use an '''any bond'''.

Remember to add charges on the molecule, especially on metal centers in complexes with counter ions. 
Position ligands with aromatic rings correctly around the center metal atom. Try to avoid using the clean-up function, as this distorts the aromatic rings.

Molecule collections with R-groups: Add R-groups when multiple rests are mentioned in literature. Use different (R1, R2, R3…) groups for different positions on the molecule, unless two positions are always substituted with the same rest. Specify the R-groups in the Ketcher “Define R-groups” menu. 
R-groups can also be used for counter ions: add an unconnected R-group on the top right of the molecule drawing and specify one or multiple counter ions in the “Define R-groups” menu. 
Small organic molecule ligands: draw individually instead of abbreviation 
CO: triple bond, negative charge on C, positive charge on O
(example: https://pubchem.ncbi.nlm.nih.gov/compound/139130150)

'''Drawing molecules correctly is important to generate the right identifiers (InChIKey) and find molecule information in PubChem!'''

=== Investigations ===

Columns with free text but guidelines:

Additives: free text; gases according to list (…) 
Solvent ratio: e. g. 4:1 
Irradiation wavelength: number, “dark” (or empty), description of source 
Columns with numbers: Leave empty when number is not given or zero

=== Comment banner ===

Several comment banners can be found under “Templates”
[[Test MissingTemplates|MissingTemplates]]
[[Test MissingItems|MissingItems]]

Help:Getting Started

2023-07-11T09:53:18Z

ChN:

== Guidelines to style pages in this wiki ==

'''Auto generated pages according to templates (no edits possible):'''

- literature page (generated from DOI), 
- investigation (generated from investigation template input on publication page), 
- molecule page (only add abbreviation)

=== Publication pages ===
How to generate a new publication page: Authoring → Create a new Paper: enter title (default publication title, check formatting in the wiki), DOI, topic(s) it belongs to → Create paper 
This leads to the new publication page with auto-generated infobox (About) from the DOI-generated literature page

Page titles cannot contain brackets [] or slashes /, or hashtags #. For a full list, see:
https://www.mediawiki.org/wiki/Manual:Page_title

'''Publication pages (and topic pages) are the only ones that can be freely edited! Any changes to molecules or investigations must be made on the publication page. Only exception is adding an abbreviation to a molecule, this happens on the molecule page.'''

Publication pages show the legally available data from published papers. These are

I) The investigations: Tables with data

II) Molecules used in the publication

Currently, the pages are structured by the headlines

1) Catalyst
2) Photosensitizer
3) Investigation
4) Sacrificial electron donor
5) Additives (optional)

Each headline is formatted as sub-heading 2
The investigations are named: currently Table 1, Table 2

The appropriate molecules for 1), 2), 4), 5) are drawn under their respective title. Solvents or gas atmosphere don’t need to be drawn, as do small (inorganic) additives.

=== Molecule Drawings ===
To draw molecules in Ketcher 2:
Bonds between ligands and metal are '''hydrogen bonds''' by default, unless this adds surplus hydrogens to the structure and those hydrogens cannot be removed by an appropriate charge. In this case, use an '''any bond'''.

Remember to add charges on the molecule, especially on metal centers in complexes with counter ions.
Position ligands with aromatic rings correctly around the center metal atom. Try to avoid using the clean-up function, as this distorts the aromatic rings.

Molecule collections with R-groups: Add R-groups when multiple rests are mentioned in literature. Use different (R1, R2, R3…) groups for different positions on the molecule, unless two positions are always substituted with the same rest. Specify the R-groups in the Ketcher “Define R-groups” menu.
R-groups can also be used for counter ions: add an unconnected R-group on the top right of the molecule drawing and specify one or multiple counter ions in the “Define R-groups” menu.
Small organic molecule ligands: draw individually instead of abbreviation
CO: triple bond, negative charge on C, positive charge on O
(example: https://pubchem.ncbi.nlm.nih.gov/compound/139130150)

'''Drawing molecules correctly is important to generate the right identifiers (InChIKey) and find molecule information in PubChem!'''

=== Investigations ===

Columns with free text but guidelines:

Additives: free text; gases according to list (…)

Solvent ratio: e. g. 4:1

Irradiation wavelength: number, “dark” (or empty), description of source

Columns with numbers:

Leave empty when number is not given or zero

=== Comment banner ===

Several comment banners can be found under “Templates”
[[Test MissingTemplates|MissingTemplates]]
[[Test MissingItems|MissingItems]]

Help:Getting Started

2023-07-11T09:36:07Z

ChN:

== Guidelines to style pages in this wiki ==

'''Auto generated pages according to templates (no edits possible):'''

- literature page (generated from DOI),

- investigation (generated from investigation template input on publication page),

- molecule page (only add abbreviation)

=== Publication pages ===
How to generate a new publication page: Authoring → Create a new Paper: enter title (default publication title, check formatting in the wiki), DOI, topic(s) it belongs to → Create paper
This leads to the new publication page with auto-generated infobox (About) from the DOI-generated literature page

Page titles cannot contain brackets [] or slashes /, or hashtags #. For a full list, see:
https://www.mediawiki.org/wiki/Manual:Page_title

'''Publication pages (and topic pages) are the only ones that can be freely edited! Any changes to molecules or investigations must be made on the publication page. Only exception is adding an abbreviation to a molecule, this happens on the molecule page.'''

Publication pages show the legally available data from published papers. These are

I) The investigations: Tables with data

II) Molecules used in the publication

Currently, the pages are structured by the headlines

1) Catalyst
2) Photosensitizer
3) Investigation
4) Sacrificial electron donor
5) Additives (optional)

Each headline is formatted as sub-heading 2
The investigations are named: currently Table 1, Table 2

The appropriate molecules for 1), 2), 4), 5) are drawn under their respective title. Solvents or gas atmosphere don’t need to be drawn, as do small (inorganic) additives.

=== Molecule Drawings ===
To draw molecules in Ketcher 2:
Bonds between ligands and metal are '''hydrogen bonds''' by default, unless this adds surplus hydrogens to the structure and those hydrogens cannot be removed by an appropriate charge. In this case, use an '''any bond'''.

Remember to add charges on the molecule, especially on metal centers in complexes with counter ions.
Position ligands with aromatic rings correctly around the center metal atom. Try to avoid using the clean-up function, as this distorts the aromatic rings.

Molecule collections with R-groups: Add R-groups when multiple rests are mentioned in literature. Use different (R1, R2, R3…) groups for different positions on the molecule, unless two positions are always substituted with the same rest. Specify the R-groups in the Ketcher “Define R-groups” menu.
R-groups can also be used for counter ions: add an unconnected R-group on the top right of the molecule drawing and specify one or multiple counter ions in the “Define R-groups” menu.
Small organic molecule ligands: draw individually instead of abbreviation
CO: triple bond, negative charge on C, positive charge on O
(example: https://pubchem.ncbi.nlm.nih.gov/compound/139130150)

'''Drawing molecules correctly is important to generate the right identifiers (InChIKey) and find molecule information in PubChem!'''

=== Investigations ===

Columns with free text but guidelines:

Additives: free text; gases according to list (…)

Solvent ratio: e. g. 4:1

Irradiation wavelength: number, “dark” (or empty), description of source

Columns with numbers:

Leave empty when number is not given or zero

=== Comment banner ===

Several comment banners can be found under “Templates”
[[Test MissingTemplates|MissingTemplates]]
[[Test MissingItems|MissingItems]]

Help:Getting Started

2023-07-11T09:33:43Z

ChN:

== Guidelines to style pages in this wiki ==

'''Auto generated pages according to templates (no edits possible):'''

- literature page (generated from DOI),
- investigation (generated from investigation template input on publication page),
- molecule page (only add abbreviation)

=== Publication pages ===
How to generate a new publication page: Authoring → Create a new Paper: enter title (default publication title, check formatting in the wiki), DOI, topic(s) it belongs to → Create paper
This leads to the new publication page with auto-generated infobox (About) from the DOI-generated literature page

Page titles cannot contain brackets [] or slashes /, or hashtags #. For a full list, see:
https://www.mediawiki.org/wiki/Manual:Page_title

'''Publication pages (and topic pages) are the only ones that can be freely edited! Any changes to molecules or investigations must be made on the publication page. Only exception is adding an abbreviation to a molecule, this happens on the molecule page.'''

Publication pages show the legally available data from published papers. These are
I) The investigations: Tables with data
II) Molecules used in the publication

Currently, the pages are structured by the headlines
1) Catalyst
2) Photosensitizer
3) Investigation
4) Sacrificial electron donor
5) Additives (optional)

Each headline is formatted as sub-heading 2
The investigations are named: currently Table 1, Table 2

The appropriate molecules for 2) to 5) are drawn under their respective title. Solvents or gas atmosphere don’t need to be drawn, as do small (inorganic) additives.

=== Molecule Drawings ===
To draw molecules in Ketcher 2:
Bonds between ligands and metal are '''hydrogen bonds''' by default, unless this adds surplus hydrogens to the structure and those hydrogens cannot be removed by an appropriate charge. In this case, use an '''any bond'''.

Remember to add charges on the molecule, especially on metal centers in complexes with counter ions.
Position ligands with aromatic rings correctly around the center metal atom. Try to avoid using the clean-up function, as this distorts the aromatic rings.

Molecule collections with R-groups: Add R-groups when multiple rests are mentioned in literature. Use different (R1, R2, R3…) groups for different positions on the molecule, unless two positions are always substituted with the same rest. Specify the R-groups in the Ketcher “Define R-groups” menu.
R-groups can also be used for counter ions: add an unconnected R-group on the top right of the molecule drawing and specify one or multiple counter ions in the “Define R-groups” menu.
Small organic molecule ligands: draw individually instead of abbreviation
CO: triple bond, negative charge on C, positive charge on O
(example: https://pubchem.ncbi.nlm.nih.gov/compound/139130150)

'''Drawing molecules correctly is important to generate the right identifiers (InChIKey) and find molecule information in PubChem!'''

=== Investigations ===
Columns with free text but guidelines:
Additives: free text; gases according to list (…)
Solvent ratio: e. g. 4:1
Irradiation wavelength: number, “dark” (or empty), description of source
Columns with numbers:
Leave empty when number is not given or zero

=== Comment banner ===

Several comment banners can be found under “Templates”
[[Test MissingTemplates|MissingTemplates]]
[[Test MissingItems|MissingItems]]

Main Page

2023-07-10T07:47:26Z

ChN: Set link to alternative main page design

[[Test Table Main Page|ALTERNATIVE WIKI MAIN PAGE DESIGN]]

== Available Topics ==
<categorytree mode="pages" depth="3" hideroot="on" hideprefix="categories">Topic</categorytree>

== Featured Molecule ==
{{#ask: [[Category:Molecule]] [[Abbreviation::+]] [[InChIKey::+]]
|?InChIKey
|?Abbreviation
|limit=1
|order=random
|format=plainlist
|introtemplate=MoleculeShortListIntro
|outrotemplate=MoleculeListOutro
|template=MoleculeShortListRow
|searchlabel= }}

== Help ==

* [[Help:Getting Started]]

* [[Help:Create new paper]]
* [[Help:Create new topic]]

== Media Wiki ==
*[[mediawikiwiki:Special:MyLanguage/Manual:Configuration_settings|Configuration settings list]]
*[[mediawikiwiki:Special:MyLanguage/Manual:FAQ|MediaWiki FAQ]]
*[https://lists.wikimedia.org/postorius/lists/mediawiki-announce.lists.wikimedia.org/ MediaWiki release mailing list]
*[[mediawikiwiki:Special:MyLanguage/Localisation#Translation_resources|Localise MediaWiki for your language]]
*[[mediawikiwiki:Special:MyLanguage/Manual:Combating_spam|Learn how to combat spam on your wiki]]
*[[mediawikiwiki:Special:MyLanguage/Help:Contents|Media Wiki User's Guide]]
__NOTOC__

Template:MoleculeShortListRow

2023-07-07T14:06:00Z

ChN:

<includeonly>
| {{#moleculelink: |link={{{2}}}|image=true}} || {{{3}}}
|-
</includeonly>

Template:MoleculeShortListRow

2023-07-07T14:02:30Z

ChN:

<includeonly>
| {{#moleculelink: |link={{{1}}}|image=true}} || {{{2}}}
|-
</includeonly>

Template:MoleculeShortListIntro

2023-07-07T14:01:50Z

ChN:

<includeonly>
{| class="wikitable"
! Molecule !! Abbreviation
|-
</includeonly>

Main Page

2023-07-07T12:22:37Z

ChN:

== Available Topics ==
<categorytree mode="pages" depth="3" hideroot="on" hideprefix="categories">Topic</categorytree>

== Featured Molecule ==
{{#ask: [[Category:Molecule]] [[Abbreviation::+]] [[InChIKey::+]]
|?InChIKey
|?Abbreviation
|limit=1
|order=random
|format=plainlist
|introtemplate=MoleculeShortListIntro
|outrotemplate=MoleculeListOutro
|template=MoleculeShortListRow
|searchlabel= }}

== Help ==

* [[Help:Getting Started]]

* [[Help:Create new paper]]
* [[Help:Create new topic]]

== Media Wiki ==
*[[mediawikiwiki:Special:MyLanguage/Manual:Configuration_settings|Configuration settings list]]
*[[mediawikiwiki:Special:MyLanguage/Manual:FAQ|MediaWiki FAQ]]
*[https://lists.wikimedia.org/postorius/lists/mediawiki-announce.lists.wikimedia.org/ MediaWiki release mailing list]
*[[mediawikiwiki:Special:MyLanguage/Localisation#Translation_resources|Localise MediaWiki for your language]]
*[[mediawikiwiki:Special:MyLanguage/Manual:Combating_spam|Learn how to combat spam on your wiki]]
*[[mediawikiwiki:Special:MyLanguage/Help:Contents|Media Wiki User's Guide]]
__NOTOC__
{| class="wikitable"
|+
!Available Topics
!Featured Molecule
|-
| style="padding: 50px" |<categorytree mode="pages" depth="3" hideroot="on" hideprefix="categories">Topic</categorytree>
| style="padding: 50px" |{{#ask: [[Category:Molecule]] [[Abbreviation::+]] [[InChIKey::+]]
|?InChIKey
|?Abbreviation
|limit=1
|order=random
|format=plainlist
|introtemplate=MoleculeShortListIntro
|outrotemplate=MoleculeListOutro
|template=MoleculeShortListRow
|searchlabel= }}
|-
!colspan="2" |Featured Publication
|-
| style="padding: 50px" colspan="2"| 123
|-
!Help
!Media Wiki
|-
| style="padding: 50px" |
* [[Help:Getting Started]]
* [[Help:Create new paper]]
* [[Help:Create new topic]]
| style="padding: 50px" |
*[[mediawikiwiki:Special:MyLanguage/Manual:Configuration_settings|Configuration settings list]]
*[[mediawikiwiki:Special:MyLanguage/Manual:FAQ|MediaWiki FAQ]]
*[https://lists.wikimedia.org/postorius/lists/mediawiki-announce.lists.wikimedia.org/ MediaWiki release mailing list]
*[[mediawikiwiki:Special:MyLanguage/Localisation#Translation_resources|Localise MediaWiki for your language]]
*[[mediawikiwiki:Special:MyLanguage/Manual:Combating_spam|Learn how to combat spam on your wiki]]
*[[mediawikiwiki:Special:MyLanguage/Help:Contents|Media Wiki User's Guide]]
|}