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

From ChemWiki
publication
About
DOI 10.1002/cptc.202100034
Authors Robin Giereth, Martin Obermeier, Lukas Forschner, Michael Karnahl, Matthias Schwalbe, Stefanie Tschierlei,
Submitted 17.03.2021
Published online 02.05.2021
Licenses http://creativecommons.org/licenses/by-nc-nd/4.0/, http://doi.wiley.com/10.1002/tdm_license_1.1,
Subjects Organic Chemistry, Physical and Theoretical Chemistry, Analytical Chemistry
Go to literature page
No edit summary
No edit summary
Line 111: Line 111:
M  V30 51 10 43 23
M  V30 51 10 43 23
M  V30 END BOND
M  V30 END BOND
M  V30 END CTAB
M  END
</chemform><chemform smiles="C(C1=CC=CC=C1)1C2C=CC3C(C4C=CC=CC=4)=CC(C)=N4~[Cu]5(~P(C6C=CC=CC=6)(C6C=CC=CC=6)C6=CC=CC7C(C)(C)C8=CC=CC(P~5(C5C=CC=CC=5)C5C=CC=CC=5)=C8OC=76)~N(C=2C=34)=C(C)C=1" inchi="1S/C39H32OP2.C26H20N2.Cu/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;/h3-28H,1-2H3;3-16H,1-2H3;" inchikey="QMNAUMUCEDJLKG-UHFFFAOYSA-N" height="200px" width="300px" float="none">
  -INDIGO-12202211182D
  0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 71 84 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.48485 -1.90007 0.0 0
M  V30 2 C 6.21515 -1.89959 0.0 0
M  V30 3 C 5.35164 -1.39997 0.0 0
M  V30 4 N 6.21515 -2.90053 0.0 0
M  V30 5 C 4.48485 -2.90502 0.0 0
M  V30 6 C 5.35382 -3.40003 0.0 0
M  V30 7 C 5.35895 -4.39702 0.0 0
M  V30 8 C 4.49572 -4.90243 0.0 0
M  V30 9 C 3.61817 -3.41245 0.0 0
M  V30 10 C 3.63003 -4.41182 0.0 0
M  V30 11 N 6.22528 -4.89093 0.0 0
M  V30 12 C 6.23165 -5.89144 0.0 0
M  V30 13 C 4.50212 -5.90694 0.0 0
M  V30 14 C 5.37387 -6.39621 0.0 0
M  V30 15 C 11.7001 -3.01693 0.0 0
M  V30 16 C 11.6996 -1.28663 0.0 0
M  V30 17 C 11.2 -2.15014 0.0 0
M  V30 18 C 12.7006 -1.28663 0.0 0
M  V30 19 C 12.7051 -3.01693 0.0 0
M  V30 20 C 13.2001 -2.14796 0.0 0
M  V30 21 O 11.1976 -3.88725 0.0 0
M  V30 22 C 11.7001 -4.75757 0.0 0
M  V30 23 C 12.705 -4.75757 0.0 0
M  V30 24 C 13.2075 -3.88725 0.0 0
M  V30 25 C 13.2054 -5.62553 0.0 0
M  V30 26 C 12.703 -6.49618 0.0 0
M  V30 27 C 11.1957 -5.63171 0.0 0
M  V30 28 C 11.7032 -6.49839 0.0 0
M  V30 29 C 7.08141 -1.39999 0.0 0
M  V30 30 C 7.10131 -6.38508 0.0 0
M  V30 31 P 10.1957 -5.63489 0.0 0
M  V30 32 P 10.2 -2.14953 0.0 0
M  V30 33 C 3.64076 -6.41494 0.0 0
M  V30 34 C 2.77704 -7.91425 0.0 0
M  V30 35 C 3.64115 -7.41565 0.0 0
M  V30 36 C 1.90986 -7.41436 0.0 0
M  V30 37 C 2.77012 -5.91305 0.0 0
M  V30 38 C 1.90728 -6.41867 0.0 0
M  V30 39 C 3.6189 -1.39995 0.0 0
M  V30 40 C 3.61904 -0.39995 0.0 0
M  V30 41 C 2.7528 -1.89982 0.0 0
M  V30 42 C 1.88684 -1.3997 0.0 0
M  V30 43 C 1.88699 -0.3997 0.0 0
M  V30 44 C 2.75309 0.100175 0.0 0
M  V30 45 C 10.1795 -6.52582 0.0 0
M  V30 46 C 9.36191 -6.22582 0.0 0
M  V30 47 C 10.2088 -1.35861 0.0 0
M  V30 48 C 9.51619 -1.48361 0.0 0
M  V30 49 C 11.1458 -6.78674 0.0 0
M  V30 50 C 11.4035 -7.74855 0.0 0
M  V30 51 C 10.699 -8.45844 0.0 0
M  V30 52 C 9.72891 -8.19648 0.0 0
M  V30 53 C 9.47205 -7.22925 0.0 0
M  V30 54 C 10.0682 -6.93491 0.0 0
M  V30 55 C 9.81051 -7.89671 0.0 0
M  V30 56 C 8.84547 -8.15925 0.0 0
M  V30 57 C 8.13632 -7.44733 0.0 0
M  V30 58 C 8.39749 -6.48126 0.0 0
M  V30 59 C 9.50249 -0.649511 0.0 0
M  V30 60 C 9.76023 0.312289 0.0 0
M  V30 61 C 10.7253 0.57483 0.0 0
M  V30 62 C 11.4344 -0.137093 0.0 0
M  V30 63 C 11.1733 -1.10316 0.0 0
M  V30 64 C 8.54994 -1.22268 0.0 0
M  V30 65 C 8.29224 -0.260867 0.0 0
M  V30 66 C 8.99672 0.449019 0.0 0
M  V30 67 C 9.96683 0.187053 0.0 0
M  V30 68 C 10.2237 -0.780174 0.0 0
M  V30 69 C 13.9146 -3.18014 0.0 0
M  V30 70 C 13.9146 -4.59436 0.0 0
M  V30 71 Cu 8.575 -3.95 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 3 1
M  V30 2 2 4 2
M  V30 3 1 1 5
M  V30 4 1 2 3
M  V30 5 2 5 6
M  V30 6 1 6 4
M  V30 7 2 8 7
M  V30 8 1 5 9
M  V30 9 1 7 6
M  V30 10 2 9 10
M  V30 11 1 10 8
M  V30 12 2 12 11
M  V30 13 1 8 13
M  V30 14 1 11 7
M  V30 15 2 13 14
M  V30 16 1 14 12
M  V30 17 2 17 15
M  V30 18 2 18 16
M  V30 19 1 15 19
M  V30 20 1 16 17
M  V30 21 2 19 20
M  V30 22 1 20 18
M  V30 23 1 15 21
M  V30 24 1 21 22
M  V30 25 2 22 23
M  V30 26 1 23 24
M  V30 27 1 24 19
M  V30 28 2 26 25
M  V30 29 1 22 27
M  V30 30 1 25 23
M  V30 31 2 27 28
M  V30 32 1 28 26
M  V30 33 1 2 29
M  V30 34 1 12 30
M  V30 35 1 27 31
M  V30 36 1 17 32
M  V30 37 1 13 33
M  V30 38 2 35 33
M  V30 39 2 36 34
M  V30 40 1 33 37
M  V30 41 1 34 35
M  V30 42 2 37 38
M  V30 43 1 38 36
M  V30 44 1 1 39
M  V30 45 1 39 40
M  V30 46 2 39 41
M  V30 47 1 41 42
M  V30 48 2 42 43
M  V30 49 1 43 44
M  V30 50 2 40 44
M  V30 51 1 31 45
M  V30 52 1 31 46
M  V30 53 1 32 47
M  V30 54 1 32 48
M  V30 55 2 49 45
M  V30 56 1 50 49
M  V30 57 2 51 50
M  V30 58 1 52 51
M  V30 59 2 53 52
M  V30 60 1 45 53
M  V30 61 2 54 46
M  V30 62 1 55 54
M  V30 63 2 56 55
M  V30 64 1 57 56
M  V30 65 2 58 57
M  V30 66 1 46 58
M  V30 67 2 59 47
M  V30 68 1 60 59
M  V30 69 2 61 60
M  V30 70 1 62 61
M  V30 71 2 63 62
M  V30 72 1 47 63
M  V30 73 2 64 48
M  V30 74 1 65 64
M  V30 75 2 66 65
M  V30 76 1 67 66
M  V30 77 2 68 67
M  V30 78 1 48 68
M  V30 79 1 24 69
M  V30 80 1 24 70
M  V30 81 8 4 71
M  V30 82 8 11 71
M  V30 83 8 32 71
M  V30 84 8 31 71
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(6 45 49 50 51 52 53) BRKXYZ=(9 0.000000 0.000000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000) LABEL=Ph
M  V30 2 SUP 2 ATOMS=(6 46 54 55 56 57 58) BRKXYZ=(9 0.000000 0.000000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000) LABEL=Ph
M  V30 3 SUP 3 ATOMS=(6 47 59 60 61 62 63) BRKXYZ=(9 0.000000 0.000000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000) LABEL=Ph
M  V30 4 SUP 4 ATOMS=(6 48 64 65 66 67 68) BRKXYZ=(9 0.000000 0.000000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.-
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000) LABEL=Ph
M  V30 END SGROUP
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END

Revision as of 15:00, 27 November 2023


WikiTemplate chemistry.pngFaulty molecule
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 replace molecule workflow.

Catalyst

Molecule with key SPPICNUXBVPFDY-UHFFFAOYSA-N does not exist.

Photosensitizer

Ir(fppy)3 [Cu(bcp)(xant)][PF6]

Investigation

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

Sacrificial electron donor

TEABIH

Investigations

Retrieved from "https://chemwiki.scc.kit.edu/main/mediawiki/index.php?title=Exploring_the_Full_Potential_of_Photocatalytic_Carbon_Dioxide_Reduction_Using_a_Dinuclear_Re2Cl2_Complex_Assisted_by_Various_Photosensitizers&oldid=4381"
Powered by MediaWiki
Powered by Semantic MediaWiki