|
|
(6 intermediate revisions by 2 users not shown) |
Line 9: |
Line 9: |
|
| |
|
| === Metal-containing photosensitizers === | | === Metal-containing photosensitizers === |
|
| |
|
| |
|
| |
| <chemform smiles="C1C2C3C=CC(Br)=CN=3[Ru]3(N4C(C5C=CC=CN=53)=CC=CC=4)3(N4C=CC=CC=4C4C=CC=CN=43)N=2C=CC=1" inchikey="CLNINCHTGNZSOI-UHFFFAOYSA-N" inchi="1S/C10H7BrN2.2C10H8N2.Ru/c11-8-4-5-10(13-7-8)9-3-1-2-6-12-9;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-7H;2*1-8H;" float="none" width="200" height="200">
| |
| -INDIGO-11262313232D
| |
|
| |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 38 46 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 C 7.01072 -3.66709 0.0 0
| |
| M V30 2 C 8.46567 -3.66409 0.0 0
| |
| M V30 3 C 7.77046 -3.26885 0.0 0
| |
| M V30 4 C 8.55261 -4.48498 0.0 0
| |
| M V30 5 C 6.99831 -4.48834 0.0 0
| |
| M V30 6 N 8.04613 -4.95142 0.0 0
| |
| M V30 7 C 4.81424 -5.61621 0.0 0
| |
| M V30 8 C 6.42638 -5.65901 0.0 0
| |
| M V30 9 C 5.54168 -5.20978 0.0 0
| |
| M V30 10 N 6.57191 -6.47504 0.0 0
| |
| M V30 11 C 4.81821 -6.46102 0.0 0
| |
| M V30 12 C 5.63496 -6.96299 0.0 0
| |
| M V30 13 C 6.41084 -7.74028 0.0 0
| |
| M V30 14 C 7.98196 -8.24949 0.0 0
| |
| M V30 15 N 7.458 -7.41393 0.0 0
| |
| M V30 16 C 7.7065 -8.97042 0.0 0
| |
| M V30 17 C 6.31664 -8.77002 0.0 0
| |
| M V30 18 C 7.02114 -9.25145 0.0 0
| |
| M V30 19 C 8.64747 -8.35517 0.0 0
| |
| M V30 20 C 10.2569 -8.37475 0.0 0
| |
| M V30 21 N 9.22788 -7.77097 0.0 0
| |
| M V30 22 C 10.172 -9.41607 0.0 0
| |
| M V30 23 C 8.73807 -9.30161 0.0 0
| |
| M V30 24 C 9.37061 -9.77608 0.0 0
| |
| M V30 25 N 10.1295 -6.17025 0.0 0
| |
| M V30 26 C 11.7911 -5.62804 0.0 0
| |
| M V30 27 C 10.8612 -5.47731 0.0 0
| |
| M V30 28 C 11.9372 -6.45321 0.0 0
| |
| M V30 29 C 10.423 -6.76451 0.0 0
| |
| M V30 30 C 11.2893 -6.96356 0.0 0
| |
| M V30 31 C 9.75728 -3.84639 0.0 0
| |
| M V30 32 C 11.3568 -3.66502 0.0 0
| |
| M V30 33 C 10.5774 -3.33632 0.0 0
| |
| M V30 34 C 11.4448 -4.44688 0.0 0
| |
| M V30 35 N 9.75639 -4.75933 0.0 0
| |
| M V30 36 C 10.7762 -4.92966 0.0 0
| |
| M V30 37 Ru 8.40385 -6.13482 0.0 0
| |
| M V30 38 Br 3.675 -6.975 0.0 0
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 2 3 1
| |
| M V30 2 2 4 2
| |
| M V30 3 1 1 5
| |
| M V30 4 1 2 3
| |
| M V30 5 2 5 6
| |
| M V30 6 1 6 4
| |
| M V30 7 2 9 7
| |
| M V30 8 2 10 8
| |
| M V30 9 1 7 11
| |
| M V30 10 1 8 9
| |
| M V30 11 2 11 12
| |
| M V30 12 1 12 10
| |
| M V30 13 2 15 13
| |
| M V30 14 2 16 14
| |
| M V30 15 1 13 17
| |
| M V30 16 1 14 15
| |
| M V30 17 2 17 18
| |
| M V30 18 1 18 16
| |
| M V30 19 2 21 19
| |
| M V30 20 2 22 20
| |
| M V30 21 1 19 23
| |
| M V30 22 1 20 21
| |
| M V30 23 2 23 24
| |
| M V30 24 1 24 22
| |
| M V30 25 2 27 25
| |
| M V30 26 2 28 26
| |
| M V30 27 1 25 29
| |
| M V30 28 1 26 27
| |
| M V30 29 2 29 30
| |
| M V30 30 1 30 28
| |
| M V30 31 2 33 31
| |
| M V30 32 2 34 32
| |
| M V30 33 1 31 35
| |
| M V30 34 1 32 33
| |
| M V30 35 2 35 36
| |
| M V30 36 1 36 34
| |
| M V30 37 1 8 5
| |
| M V30 38 1 14 19
| |
| M V30 39 1 27 36
| |
| M V30 40 10 10 37
| |
| M V30 41 10 6 37
| |
| M V30 42 10 37 35
| |
| M V30 43 10 25 37
| |
| M V30 44 10 21 37
| |
| M V30 45 10 15 37
| |
| M V30 46 1 38 11
| |
| M V30 END BOND
| |
| M V30 END CTAB
| |
| M END
| |
| </chemform><chemform id="9f8d1abe82e58" smiles="C(F)1=CC(F)=C2C3=CC=CC=N3~[Ir](~C2=C1)1(~C2=CC(F)=CC(F)=C2C2N~1=CC=CC=2)1~C2C(C3N~1=CC=CC=3)=C(F)C=C(F)C=2" isreaction="" inchi="1S/3C11H7F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1-7H;" inchikey="MOOGSZYNGDRAGN-UHFFFAOYSA-N" height="200px" width="300px" float="none">
| |
| -INDIGO-07122210472D
| |
|
| |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 43 51 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 C 3.35388 -2.01258 0.0 0
| |
| M V30 2 C 4.32383 -2.26158 0.0 0
| |
| M V30 3 C 4.6303 -3.13022 0.0 0
| |
| M V30 4 C 3.67187 -3.64634 0.0 0
| |
| M V30 5 C 2.81616 -3.25377 0.0 0
| |
| M V30 6 C 2.69473 -2.51947 0.0 0
| |
| M V30 7 N 4.70247 -4.74547 0.0 0
| |
| M V30 8 C 4.50703 -5.62547 0.0 0
| |
| M V30 9 C 3.56066 -5.97075 0.0 0
| |
| M V30 10 C 2.88786 -5.52592 0.0 0
| |
| M V30 11 C 2.92203 -4.77931 0.0 0
| |
| M V30 12 C 6.19609 -5.30705 0.0 0
| |
| M V30 13 C 7.10483 -5.84556 0.0 0
| |
| M V30 14 C 7.1601 -6.75677 0.0 0
| |
| M V30 15 C 6.54711 -7.15591 0.0 0
| |
| M V30 16 C 5.80722 -6.79558 0.0 0
| |
| M V30 17 C 5.61049 -5.87429 0.0 0
| |
| M V30 18 C 8.59015 -4.22681 0.0 0
| |
| M V30 19 C 9.37931 -4.86415 0.0 0
| |
| M V30 20 C 9.32023 -5.65455 0.0 0
| |
| M V30 21 C 8.59783 -5.98423 0.0 0
| |
| M V30 22 C 7.72436 -5.47622 0.0 0
| |
| M V30 23 N 7.62662 -4.52158 0.0 0
| |
| M V30 24 C 6.11105 -0.379787 0.0 0
| |
| M V30 25 C 6.77119 -0.809596 0.0 0
| |
| M V30 26 C 6.7652 -1.77253 0.0 0
| |
| M V30 27 N 5.94395 -2.35061 0.0 0
| |
| M V30 28 C 5.22334 -1.77336 0.0 0
| |
| M V30 29 C 5.35867 -0.767492 0.0 0
| |
| M V30 30 C 8.22897 -1.51964 0.0 0
| |
| M V30 31 C 8.95456 -1.8394 0.0 0
| |
| M V30 32 C 9.05239 -2.70074 0.0 0
| |
| M V30 33 C 8.28788 -3.38387 0.0 0
| |
| M V30 34 C 7.40988 -3.1222 0.0 0
| |
| M V30 35 C 7.4134 -2.09729 0.0 0
| |
| M V30 36 C 3.80457 -4.32548 0.0 0
| |
| M V30 37 F 1.98956 -3.83629 0.0 0
| |
| M V30 38 F 3.1543 -0.890091 0.0 0
| |
| M V30 39 F 8.14503 -0.46972 0.0 0
| |
| M V30 40 F 10.0756 -3.09587 0.0 0
| |
| M V30 41 F 8.14709 -7.23392 0.0 0
| |
| M V30 42 F 5.00116 -7.44328 0.0 0
| |
| M V30 43 Ir 6.10541 -3.85065 0.0 0
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 1 1 2
| |
| M V30 2 2 2 3
| |
| M V30 3 1 3 4
| |
| M V30 4 2 4 5
| |
| M V30 5 1 5 6
| |
| M V30 6 2 6 1
| |
| M V30 7 2 7 8
| |
| M V30 8 1 8 9
| |
| M V30 9 2 9 10
| |
| M V30 10 1 10 11
| |
| M V30 11 1 12 13
| |
| M V30 12 2 13 14
| |
| M V30 13 1 14 15
| |
| M V30 14 2 15 16
| |
| M V30 15 1 16 17
| |
| M V30 16 2 17 12
| |
| M V30 17 1 18 19
| |
| M V30 18 2 19 20
| |
| M V30 19 1 20 21
| |
| M V30 20 2 21 22
| |
| M V30 21 1 22 23
| |
| M V30 22 2 23 18
| |
| M V30 23 1 24 25
| |
| M V30 24 2 25 26
| |
| M V30 25 1 26 27
| |
| M V30 26 2 27 28
| |
| M V30 27 1 28 29
| |
| M V30 28 2 29 24
| |
| M V30 29 1 30 31
| |
| M V30 30 2 31 32
| |
| M V30 31 1 32 33
| |
| M V30 32 2 33 34
| |
| M V30 33 1 34 35
| |
| M V30 34 2 35 30
| |
| M V30 35 1 36 7
| |
| M V30 36 2 11 36
| |
| M V30 37 1 4 36
| |
| M V30 38 1 13 22
| |
| M V30 39 1 35 26
| |
| M V30 40 1 5 37
| |
| M V30 41 1 1 38
| |
| M V30 42 1 30 39
| |
| M V30 43 1 32 40
| |
| M V30 44 1 14 41
| |
| M V30 45 1 16 42
| |
| M V30 46 8 43 27
| |
| M V30 47 8 34 43
| |
| M V30 48 8 43 23
| |
| M V30 49 8 43 12
| |
| M V30 50 8 43 7
| |
| M V30 51 8 43 3
| |
| M V30 END BOND
| |
| M V30 END CTAB
| |
| M END
| |
| </chemform><chemform id="2ada71d4a352" smiles="C1C(C)N2~[Cu+]3(~P(CCCCP~3(C3CCCCC3)C3C=CC=CC=3)(C/C=C\C)C3C=CC=CC=3)~N3C4C2=C(C=CC=4C(C2=CC=CC=C2)=CC3C)C=1C1C=CC=CC=1" isreaction="" inchi="1S/C26H24N2.C26H36P2.Cu/c1-17-15-23(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;1-2-3-21-27(24-15-7-4-8-16-24)22-13-14-23-28(25-17-9-5-10-18-25)26-19-11-6-12-20-26;/h3-18,27-28H,1-2H3;2-5,7-10,15-18,26H,6,11-14,19-23H2,1H3;/q;;+1/b;3-2-;" inchikey="JWMZXCOELBVURC-PMOSZIESSA-N" height="200px" width="300px" float="none">
| |
| -INDIGO-07142209192D
| |
|
| |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 57 66 6 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 C 10.527 7.18755 0.0 0
| |
| M V30 2 C 11.3802 6.75675 0.0 0
| |
| M V30 3 C 11.3775 5.86652 0.0 0
| |
| M V30 4 C 10.5265 5.33811 0.0 0
| |
| M V30 5 N 9.64766 5.71133 0.0 0
| |
| M V30 6 C 9.62093 6.65612 0.0 0
| |
| M V30 7 C 12.1468 5.45866 0.0 0
| |
| M V30 8 C 12.1816 4.58201 0.0 0
| |
| M V30 9 C 11.4478 4.13243 0.0 0
| |
| M V30 10 C 10.6074 4.55856 0.0 0
| |
| M V30 11 C 11.5236 3.23914 0.0 0
| |
| M V30 12 C 10.7307 2.65735 0.0 0
| |
| M V30 13 C 9.78563 3.19102 0.0 0
| |
| M V30 14 N 9.7359 3.98661 0.0 0
| |
| M V30 15 C 13.6404 8.56769 0.0 0
| |
| M V30 16 C 14.3942 7.94459 0.0 0
| |
| M V30 17 C 14.2347 6.98422 0.0 0
| |
| M V30 18 C 13.2874 6.61878 0.0 0
| |
| M V30 19 C 12.4677 7.25182 0.0 0
| |
| M V30 20 C 12.6764 8.23715 0.0 0
| |
| M V30 21 C 13.1745 3.36136 0.0 0
| |
| M V30 22 C 14.0381 2.93732 0.0 0
| |
| M V30 23 C 14.1075 1.97289 0.0 0
| |
| M V30 24 C 13.3088 1.43065 0.0 0
| |
| M V30 25 C 12.4352 1.85481 0.0 0
| |
| M V30 26 C 12.3606 2.82631 0.0 0
| |
| M V30 27 C 8.79855 7.2201 0.0 0
| |
| M V30 28 C 9.04987 2.4813 0.0 0
| |
| M V30 29 Cu 8.73352 4.77777 0.0 0 CHG=1
| |
| M V30 30 P 7.76899 4.2268 0.0 0
| |
| M V30 31 P 7.71865 5.33155 0.0 0
| |
| M V30 32 C 7.51512 3.45575 0.0 0
| |
| M V30 33 C 8.30391 2.83731 0.0 0
| |
| M V30 34 C 8.23049 1.66785 0.0 0
| |
| M V30 35 C 7.27835 1.28231 0.0 0
| |
| M V30 36 C 6.42159 1.90749 0.0 0
| |
| M V30 37 C 6.61654 3.14995 0.0 0
| |
| M V30 38 C 8.57672 3.49647 0.0 0
| |
| M V30 39 C 9.29169 4.05378 0.0 0
| |
| M V30 40 C 10.1216 3.51123 0.0 0
| |
| M V30 41 C 10.1749 2.73137 0.0 0
| |
| M V30 42 C 9.42568 2.131 0.0 0
| |
| M V30 43 C 8.63848 2.68797 0.0 0
| |
| M V30 44 C 7.97685 6.35559 0.0 0
| |
| M V30 45 C 7.18433 7.00502 0.0 0
| |
| M V30 46 C 7.34087 8.00233 0.0 0
| |
| M V30 47 C 8.29595 8.39413 0.0 0
| |
| M V30 48 C 9.11617 7.82782 0.0 0
| |
| M V30 49 C 8.90645 6.64847 0.0 0
| |
| M V30 50 C 6.82686 6.52494 0.0 0
| |
| M V30 51 C 6.53522 4.60324 0.0 0
| |
| M V30 52 C 6.03405 6.32273 0.0 0
| |
| M V30 53 C 5.75576 5.37142 0.0 0
| |
| M V30 54 C 7.06416 4.79107 0.0 0
| |
| M V30 55 C 7.06416 4.79107 0.0 0
| |
| M V30 56 C 7.06416 4.79107 0.0 0
| |
| M V30 57 C 7.06416 4.79107 0.0 0
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 2 1 2
| |
| M V30 2 1 2 3
| |
| M V30 3 2 3 4
| |
| M V30 4 1 4 5
| |
| M V30 5 1 5 6
| |
| M V30 6 1 6 1
| |
| M V30 7 1 3 7
| |
| M V30 8 2 7 8
| |
| M V30 9 1 8 9
| |
| M V30 10 2 9 10
| |
| M V30 11 1 10 4
| |
| M V30 12 2 11 12
| |
| M V30 13 1 13 14
| |
| M V30 14 1 14 10
| |
| M V30 15 1 12 13
| |
| M V30 16 1 11 9
| |
| M V30 17 1 15 16
| |
| M V30 18 2 16 17
| |
| M V30 19 1 17 18
| |
| M V30 20 2 18 19
| |
| M V30 21 1 19 20
| |
| M V30 22 2 20 15
| |
| M V30 23 1 21 22
| |
| M V30 24 2 22 23
| |
| M V30 25 1 23 24
| |
| M V30 26 2 24 25
| |
| M V30 27 1 25 26
| |
| M V30 28 2 26 21
| |
| M V30 29 1 11 26
| |
| M V30 30 1 2 19
| |
| M V30 31 1 6 27
| |
| M V30 32 1 13 28
| |
| M V30 33 8 5 29
| |
| M V30 34 8 14 29
| |
| M V30 35 8 29 30
| |
| M V30 36 8 29 31
| |
| M V30 37 1 30 32
| |
| M V30 38 2 33 32
| |
| M V30 39 1 34 33
| |
| M V30 40 2 35 34
| |
| M V30 41 1 36 35
| |
| M V30 42 2 37 36
| |
| M V30 43 1 32 37
| |
| M V30 44 1 30 38
| |
| M V30 45 1 39 38
| |
| M V30 46 1 40 39
| |
| M V30 47 1 41 40
| |
| M V30 48 1 42 41
| |
| M V30 49 1 43 42
| |
| M V30 50 1 38 43
| |
| M V30 51 1 31 44
| |
| M V30 52 2 45 44
| |
| M V30 53 1 46 45
| |
| M V30 54 2 47 46
| |
| M V30 55 1 48 47
| |
| M V30 56 2 49 48
| |
| M V30 57 1 44 49
| |
| M V30 58 1 31 50
| |
| M V30 59 1 50 52
| |
| M V30 60 2 52 53
| |
| M V30 61 1 53 51
| |
| M V30 62 1 31 54
| |
| M V30 63 1 54 55
| |
| M V30 64 1 55 56
| |
| M V30 65 1 56 57
| |
| M V30 66 1 57 30
| |
| M V30 END BOND
| |
| M V30 BEGIN SGROUP
| |
| M V30 1 SUP 1 ATOMS=(6 32 33 34 35 36 37) 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 38 39 40 41 42 43) 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 44 45 46 47 48 49) 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=(4 50 51 52 53) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
| |
| M V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
| |
| M V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
| |
| M V30 00) LABEL=Ph
| |
| M V30 5 MUL 5 ATOMS=(4 54 55 56 57) BRKXYZ=(9 6.564161 4.291071 0.000000 6.5-
| |
| M V30 64161 5.291071 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 7.564161-
| |
| M V30 5.291071 0.000000 7.564161 4.291071 0.000000 0.000000 0.000000 0.0000-
| |
| M V30 00) PATOMS=(1 54) MULT=4
| |
| M V30 6 GEN 6 ATOMS=(54 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 2-
| |
| M V30 1 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44-
| |
| M V30 45 46 47 48 49 50 51 52 53 54) BRKXYZ=(9 0.000000 0.000000 0.000000 0-
| |
| M V30 .000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.0000-
| |
| M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00-
| |
| M V30 0000)
| |
| M V30 END SGROUP
| |
| M V30 END CTAB
| |
| M END
| |
| </chemform>
| |
|
| |
|
| |
|
| |
| <chemform smiles="C1C2C3C=CC(Br)=CN=3[Ru]3(N4C(C5C=CC=CN=53)=CC=CC=4)3(N4C=CC=CC=4C4C=CC=CN=43)N=2C=CC=1" inchikey="CLNINCHTGNZSOI-UHFFFAOYSA-N" inchi="1S/C10H7BrN2.2C10H8N2.Ru/c11-8-4-5-10(13-7-8)9-3-1-2-6-12-9;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-7H;2*1-8H;" float="none" width="200" height="200">
| |
| -INDIGO-11262313232D
| |
|
| |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 38 46 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 C 7.01072 -3.66709 0.0 0
| |
| M V30 2 C 8.46567 -3.66409 0.0 0
| |
| M V30 3 C 7.77046 -3.26885 0.0 0
| |
| M V30 4 C 8.55261 -4.48498 0.0 0
| |
| M V30 5 C 6.99831 -4.48834 0.0 0
| |
| M V30 6 N 8.04613 -4.95142 0.0 0
| |
| M V30 7 C 4.81424 -5.61621 0.0 0
| |
| M V30 8 C 6.42638 -5.65901 0.0 0
| |
| M V30 9 C 5.54168 -5.20978 0.0 0
| |
| M V30 10 N 6.57191 -6.47504 0.0 0
| |
| M V30 11 C 4.81821 -6.46102 0.0 0
| |
| M V30 12 C 5.63496 -6.96299 0.0 0
| |
| M V30 13 C 6.41084 -7.74028 0.0 0
| |
| M V30 14 C 7.98196 -8.24949 0.0 0
| |
| M V30 15 N 7.458 -7.41393 0.0 0
| |
| M V30 16 C 7.7065 -8.97042 0.0 0
| |
| M V30 17 C 6.31664 -8.77002 0.0 0
| |
| M V30 18 C 7.02114 -9.25145 0.0 0
| |
| M V30 19 C 8.64747 -8.35517 0.0 0
| |
| M V30 20 C 10.2569 -8.37475 0.0 0
| |
| M V30 21 N 9.22788 -7.77097 0.0 0
| |
| M V30 22 C 10.172 -9.41607 0.0 0
| |
| M V30 23 C 8.73807 -9.30161 0.0 0
| |
| M V30 24 C 9.37061 -9.77608 0.0 0
| |
| M V30 25 N 10.1295 -6.17025 0.0 0
| |
| M V30 26 C 11.7911 -5.62804 0.0 0
| |
| M V30 27 C 10.8612 -5.47731 0.0 0
| |
| M V30 28 C 11.9372 -6.45321 0.0 0
| |
| M V30 29 C 10.423 -6.76451 0.0 0
| |
| M V30 30 C 11.2893 -6.96356 0.0 0
| |
| M V30 31 C 9.75728 -3.84639 0.0 0
| |
| M V30 32 C 11.3568 -3.66502 0.0 0
| |
| M V30 33 C 10.5774 -3.33632 0.0 0
| |
| M V30 34 C 11.4448 -4.44688 0.0 0
| |
| M V30 35 N 9.75639 -4.75933 0.0 0
| |
| M V30 36 C 10.7762 -4.92966 0.0 0
| |
| M V30 37 Ru 8.40385 -6.13482 0.0 0
| |
| M V30 38 Br 3.675 -6.975 0.0 0
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 2 3 1
| |
| M V30 2 2 4 2
| |
| M V30 3 1 1 5
| |
| M V30 4 1 2 3
| |
| M V30 5 2 5 6
| |
| M V30 6 1 6 4
| |
| M V30 7 2 9 7
| |
| M V30 8 2 10 8
| |
| M V30 9 1 7 11
| |
| M V30 10 1 8 9
| |
| M V30 11 2 11 12
| |
| M V30 12 1 12 10
| |
| M V30 13 2 15 13
| |
| M V30 14 2 16 14
| |
| M V30 15 1 13 17
| |
| M V30 16 1 14 15
| |
| M V30 17 2 17 18
| |
| M V30 18 1 18 16
| |
| M V30 19 2 21 19
| |
| M V30 20 2 22 20
| |
| M V30 21 1 19 23
| |
| M V30 22 1 20 21
| |
| M V30 23 2 23 24
| |
| M V30 24 1 24 22
| |
| M V30 25 2 27 25
| |
| M V30 26 2 28 26
| |
| M V30 27 1 25 29
| |
| M V30 28 1 26 27
| |
| M V30 29 2 29 30
| |
| M V30 30 1 30 28
| |
| M V30 31 2 33 31
| |
| M V30 32 2 34 32
| |
| M V30 33 1 31 35
| |
| M V30 34 1 32 33
| |
| M V30 35 2 35 36
| |
| M V30 36 1 36 34
| |
| M V30 37 1 8 5
| |
| M V30 38 1 14 19
| |
| M V30 39 1 27 36
| |
| M V30 40 10 10 37
| |
| M V30 41 10 6 37
| |
| M V30 42 10 37 35
| |
| M V30 43 10 25 37
| |
| M V30 44 10 21 37
| |
| M V30 45 10 15 37
| |
| M V30 46 1 38 11
| |
| M V30 END BOND
| |
| M V30 END CTAB
| |
| M END
| |
| </chemform>
| |
|
| |
|
| === Non-metal-containing photosensitizers === | | === Non-metal-containing photosensitizers === |
Line 737: |
Line 268: |
| M V30 END CTAB | | M V30 END CTAB |
| M END | | M END |
| </chemform> <chemform id="f80a6f4ca2efb" smiles="C1=C(Br)C(O)=C(Br)C2CC3=C(Br)C(O)=C(Br)C=C3C3(OC(=O)C4=CC=CC=C34)C12" isreaction="" inchi="1S/C21H12Br4O4/c22-14-6-12-9(16(24)18(14)26)5-10-13(7-15(23)19(27)17(10)25)21(12)11-4-2-1-3-8(11)20(28)29-21/h1-4,6-7,9,12,26-27H,5H2" inchikey="RVPZUCVLMVAEGT-UHFFFAOYSA-N" height="200px" width="300px" float="none"> | | </chemform> |
| -INDIGO-07072219222D
| |
| | |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 29 33 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 C 4.05 -4.49999 0.0 0
| |
| M V30 2 C 4.91601 -4.99999 0.0 0
| |
| M V30 3 C 4.91601 -6.0 0.0 0
| |
| M V30 4 C 4.05 -6.50001 0.0 0
| |
| M V30 5 C 3.18399 -6.0 0.0 0
| |
| M V30 6 C 3.18399 -4.99999 0.0 0
| |
| M V30 7 C 5.78206 -4.49996 0.0 0
| |
| M V30 8 C 6.64811 -4.99995 0.0 0
| |
| M V30 9 C 6.64811 -5.99996 0.0 0
| |
| M V30 10 C 5.78206 -6.49999 0.0 0
| |
| M V30 11 C 7.51416 -4.49992 0.0 0
| |
| M V30 12 C 8.38022 -4.9999 0.0 0
| |
| M V30 13 C 8.38022 -5.99992 0.0 0
| |
| M V30 14 C 7.51416 -6.49995 0.0 0
| |
| M V30 15 Br 9.24623 -4.49989 0.0 0
| |
| M V30 16 O 9.24624 -6.49991 0.0 0
| |
| M V30 17 Br 7.51418 -7.49995 0.0 0
| |
| M V30 18 Br 4.05 -7.50001 0.0 0
| |
| M V30 19 O 2.31796 -6.5 0.0 0
| |
| M V30 20 Br 2.31796 -4.5 0.0 0
| |
| M V30 21 C 4.97307 -3.91217 0.0 0
| |
| M V30 22 C 5.28207 -2.96108 0.0 0
| |
| M V30 23 C 6.28206 -2.96108 0.0 0
| |
| M V30 24 O 6.59105 -3.91217 0.0 0
| |
| M V30 25 C 3.3257 -3.37701 0.0 0
| |
| M V30 26 C 3.6347 -2.42592 0.0 0
| |
| M V30 27 C 4.61288 -2.21796 0.0 0
| |
| M V30 28 C 4.03281 -4.08411 0.0 0
| |
| M V30 29 O 6.98916 -2.25398 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 2 4 5
| |
| M V30 5 1 5 6
| |
| M V30 6 2 6 1
| |
| M V30 7 1 2 7
| |
| M V30 8 1 7 8
| |
| M V30 9 1 8 9
| |
| M V30 10 1 9 10
| |
| M V30 11 1 10 3
| |
| M V30 12 2 8 11
| |
| M V30 13 1 11 12
| |
| M V30 14 2 12 13
| |
| M V30 15 1 13 14
| |
| M V30 16 2 14 9
| |
| M V30 17 1 12 15
| |
| M V30 18 1 13 16
| |
| M V30 19 1 14 17
| |
| M V30 20 1 4 18
| |
| M V30 21 1 5 19
| |
| M V30 22 1 6 20
| |
| M V30 23 1 7 21
| |
| M V30 24 1 21 22
| |
| M V30 25 1 22 23
| |
| M V30 26 1 23 24
| |
| M V30 27 1 24 7
| |
| M V30 28 2 25 26
| |
| M V30 29 1 26 27
| |
| M V30 30 2 27 22
| |
| M V30 31 1 25 28
| |
| M V30 32 2 28 21
| |
| M V30 33 2 23 29
| |
| M V30 END BOND
| |
| M V30 END CTAB
| |
| M END
| |
| </chemform>
| |
| | |
| | |
| | |
| | |
| == Catalysts == | | == Catalysts == |
|
| |
|
| ==== Manganese-based catalysts ==== | | ==== Manganese-based catalysts ==== |
|
| |
|
| |
|
| |
|
| |
| {| class="wikitable sortable mw-collapsible"
| |
| |+
| |
| !Entry
| |
| !CAT
| |
| !conc
| |
| !PS
| |
| !conc
| |
| !e-D
| |
| !conc
| |
| !Solvent
| |
| !lamdaexc
| |
| !irr time
| |
| !CO
| |
| !TON
| |
| !QY [%]
| |
| !further data
| |
| !link to experiment
| |
| |-
| |
| |1
| |
| |
| |
| |
| |
| |100012
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |2
| |
| |
| |
| |
| |
| |100013
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |3
| |
| |
| |
| |
| |
| |100014
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |4
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |}
| |
|
| |
|
| |
|
| ==== Iron-based catalysts ==== | | ==== Iron-based catalysts ==== |
| Iron complexes: Known for the reduction of CO2 to H2 and CO [https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.201402515 <nowiki>[link to publication]</nowiki>] | | Iron complexes: Known for the reduction of CO2 to H2 and CO [https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.201402515 <nowiki>[link to publication]</nowiki>] |
|
| |
| <chemform id="2dae55138a2a5" smiles="C1C=CC(C2C3=N4~[Fe+3]56~N7C(=C(C8[N-]~5C(C(=C4C=C3)C3C=CC=CC=3)=CC=8)C3C=CC=CC=3)C=CC=7C(=C3[N-]~6C=2C=C3)C2C=CC=CC=2)=CC=1.[Cl-]" isreaction="" inchi="1S/C44H28N4.ClH.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;1H;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;" inchikey="ZDYSAMCSFRQDMN-YKKPBKTHSA-M" height="200px" width="300px" float="none">
| |
| -INDIGO-07072219252D
| |
|
| |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 50 60 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 C 3.68671 3.81803 0.0 0
| |
| M V30 2 C -3.94934 3.81803 0.0 0
| |
| M V30 3 C 3.68671 -3.81803 0.0 0
| |
| M V30 4 C -3.94934 -3.81803 0.0 0
| |
| M V30 5 C 3.94131 2.86787 0.0 0
| |
| M V30 6 C 2.73656 4.07262 0.0 0
| |
| M V30 7 C -2.99919 4.07262 0.0 0
| |
| M V30 8 C -4.20394 2.86787 0.0 0
| |
| M V30 9 C 2.73656 -4.07262 0.0 0
| |
| M V30 10 C 3.94131 -2.86787 0.0 0
| |
| M V30 11 C -4.20394 -2.86787 0.0 0
| |
| M V30 12 C -2.99919 -4.07262 0.0 0
| |
| M V30 13 C 3.24574 2.17231 0.0 0
| |
| M V30 14 C 2.04099 3.37706 0.0 0
| |
| M V30 15 C -2.30362 3.37706 0.0 0
| |
| M V30 16 C -3.50837 2.17231 0.0 0
| |
| M V30 17 C 2.04099 -3.37706 0.0 0
| |
| M V30 18 C 3.24574 -2.17231 0.0 0
| |
| M V30 19 C -3.50837 -2.17231 0.0 0
| |
| M V30 20 C -2.30362 -3.37706 0.0 0
| |
| M V30 21 C 0.360522 2.97084 0.0 0
| |
| M V30 22 C 2.83953 0.491837 0.0 0
| |
| M V30 23 C -0.623152 2.97084 0.0 0
| |
| M V30 24 C 2.83953 -0.491837 0.0 0
| |
| M V30 25 C -3.10216 0.491837 0.0 0
| |
| M V30 26 C 0.360522 -2.97084 0.0 0
| |
| M V30 27 C -3.10216 -0.491837 0.0 0
| |
| M V30 28 C -0.623152 -2.97084 0.0 0
| |
| M V30 29 C 2.29559 2.4269 0.0 0
| |
| M V30 30 C -2.55822 2.4269 0.0 0
| |
| M V30 31 C 2.29559 -2.4269 0.0 0
| |
| M V30 32 C -2.55822 -2.4269 0.0 0
| |
| M V30 33 C 0.664494 2.03531 0.0 0
| |
| M V30 34 C 1.904 0.795809 0.0 0
| |
| M V30 35 C -0.927124 2.03531 0.0 0
| |
| M V30 36 C 1.904 -0.795809 0.0 0
| |
| M V30 37 C -2.16663 0.795809 0.0 0
| |
| M V30 38 C 0.664494 -2.03531 0.0 0
| |
| M V30 39 C -2.16663 -0.795809 0.0 0
| |
| M V30 40 C -0.927124 -2.03531 0.0 0
| |
| M V30 41 C 1.60002 1.73134 0.0 0
| |
| M V30 42 C -1.86265 1.73134 0.0 0
| |
| M V30 43 C 1.60002 -1.73134 0.0 0
| |
| M V30 44 C -1.86265 -1.73134 0.0 0
| |
| M V30 45 N -0.131315 1.45712 0.0 0 CHG=-1
| |
| M V30 46 N 1.32581 0.0 0.0 0
| |
| M V30 47 N -1.58844 0.0 0.0 0
| |
| M V30 48 N -0.131315 -1.45712 0.0 0 CHG=-1
| |
| M V30 49 Fe -0.0813151 -0.0565947 0.0 0 CHG=3
| |
| M V30 50 Cl 4.20394 0.103124 0.0 0 CHG=-1
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 2 5 1
| |
| M V30 2 1 6 1
| |
| M V30 3 2 7 2
| |
| M V30 4 1 8 2
| |
| M V30 5 2 9 3
| |
| M V30 6 1 10 3
| |
| M V30 7 2 11 4
| |
| M V30 8 1 12 4
| |
| M V30 9 1 13 5
| |
| M V30 10 2 14 6
| |
| M V30 11 1 15 7
| |
| M V30 12 2 16 8
| |
| M V30 13 1 17 9
| |
| M V30 14 2 18 10
| |
| M V30 15 1 19 11
| |
| M V30 16 2 20 12
| |
| M V30 17 2 23 21
| |
| M V30 18 2 24 22
| |
| M V30 19 2 27 25
| |
| M V30 20 1 28 26
| |
| M V30 21 2 29 13
| |
| M V30 22 1 29 14
| |
| M V30 23 2 30 15
| |
| M V30 24 1 30 16
| |
| M V30 25 2 31 17
| |
| M V30 26 1 31 18
| |
| M V30 27 2 32 19
| |
| M V30 28 1 32 20
| |
| M V30 29 1 33 21
| |
| M V30 30 1 34 22
| |
| M V30 31 1 35 23
| |
| M V30 32 1 36 24
| |
| M V30 33 1 37 25
| |
| M V30 34 2 38 26
| |
| M V30 35 1 39 27
| |
| M V30 36 2 40 28
| |
| M V30 37 1 41 29
| |
| M V30 38 2 41 33
| |
| M V30 39 1 41 34
| |
| M V30 40 1 42 30
| |
| M V30 41 2 42 35
| |
| M V30 42 1 42 37
| |
| M V30 43 1 43 31
| |
| M V30 44 2 43 36
| |
| M V30 45 1 43 38
| |
| M V30 46 1 44 32
| |
| M V30 47 2 44 39
| |
| M V30 48 1 44 40
| |
| M V30 49 1 45 33
| |
| M V30 50 1 45 35
| |
| M V30 51 2 46 34
| |
| M V30 52 1 46 36
| |
| M V30 53 2 47 37
| |
| M V30 54 1 47 39
| |
| M V30 55 1 48 38
| |
| M V30 56 1 48 40
| |
| M V30 57 8 45 49
| |
| M V30 58 8 48 49
| |
| M V30 59 8 47 49
| |
| M V30 60 8 46 49
| |
| M V30 END BOND
| |
| M V30 END CTAB
| |
| M END
| |
| </chemform>
| |
|
| |
| {| class="wikitable sortable mw-collapsible"
| |
| |+
| |
| !Entry
| |
| !CAT
| |
| !conc
| |
| !PS
| |
| !conc
| |
| !e-D
| |
| !conc
| |
| !Solvent
| |
| !lamdaexc
| |
| !irr time
| |
| !CO
| |
| !TON
| |
| !QY [%]
| |
| !further data
| |
| !link to experiment
| |
| |-
| |
| |1
| |
| |100005
| |
| |
| |
| |100012
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |2
| |
| |100005
| |
| |
| |
| |100013
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |3
| |
| |100005
| |
| |
| |
| |100014
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |4
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |}
| |
|
| |
|
| ==== Rhenium-based catalysts ==== | | ==== Rhenium-based catalysts ==== |
| Rhenium complexes are known to act as photocatalysts and electrocatalysts for reducing CO2 to CO. | | Rhenium complexes are known to act as photocatalysts and electrocatalysts for reducing CO2 to CO. |
|
| |
|
| Here an example DOI as reference {{#literature:|doi=https://doi.org/10.1021/ic500829p}}{{#literature:|doi=https://doi.org/10.1039/D0GC04040A}} {{#literature:|doi=https://doi.org/10.1002/cptc.202100034}} | | Here an example DOI as reference {{#literature:|doi=https://doi.org/10.1021/ic500829p}}{{#literature:|doi=https://doi.org/10.1039/D0GC04040A}} {{#literature:|doi=https://doi.org/10.1002/cptc.202100034}} |
| | |
| <blockquote> </blockquote>
| |
| | |
| <chemform id="d24aa19d41b28" smiles="[Re](Br)1(~N2C(C3C=CC=CN=3~1)=CC=CC=2)(~C=O)(~C=O)~C=O" isreaction="" inchi="1S/C10H8N2.3CH2O.BrH.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;;/h1-8H;3*1H2;1H;/q;;;;;+1/p-1" inchikey="KKQAGERXQUNLJM-UHFFFAOYSA-M" height="150px" width="200px" float="none">
| |
| -INDIGO-07072219252D
| |
| | |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 20 22 3 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 Re 0.30604 -0.00717888 0.0 0
| |
| M V30 2 C -2.34979 -1.7255 0.0 0
| |
| M V30 3 C -1.60196 -2.15112 0.0 0
| |
| M V30 4 C -0.859453 -1.71629 0.0 0
| |
| M V30 5 N -0.864771 -0.855843 0.0 0
| |
| M V30 6 C -1.6126 -0.430224 0.0 0
| |
| M V30 7 C -2.35511 -0.865054 0.0 0
| |
| M V30 8 C -1.61792 0.430223 0.0 0
| |
| M V30 9 N -0.875404 0.865052 0.0 0
| |
| M V30 10 C -0.880722 1.7255 0.0 0
| |
| M V30 11 C -1.62855 2.15112 0.0 0
| |
| M V30 12 C -2.37106 1.71629 0.0 0
| |
| M V30 13 C -2.36574 0.855842 0.0 0
| |
| M V30 14 Br 0.30604 1.31389 0.0 0
| |
| M V30 15 C 1.40946 0.808868 0.0 0
| |
| M V30 16 O 2.10128 1.32051 0.0 0
| |
| M V30 17 C 1.6004 -0.649996 0.0 0
| |
| M V30 18 O 2.37106 -1.03273 0.0 0
| |
| M V30 19 C 0.30604 -1.18652 0.0 0
| |
| M V30 20 O 0.30604 -2.04699 0.0 0
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 2 15 16
| |
| M V30 2 8 1 15
| |
| M V30 3 2 17 18
| |
| M V30 4 8 1 17
| |
| M V30 5 2 19 20
| |
| M V30 6 8 1 19
| |
| M V30 7 2 2 3
| |
| M V30 8 1 3 4
| |
| M V30 9 2 4 5
| |
| M V30 10 1 5 6
| |
| M V30 11 2 6 7
| |
| M V30 12 1 7 2
| |
| M V30 13 1 6 8
| |
| M V30 14 2 8 9
| |
| M V30 15 1 9 10
| |
| M V30 16 2 10 11
| |
| M V30 17 1 11 12
| |
| M V30 18 2 12 13
| |
| M V30 19 1 13 8
| |
| M V30 20 8 1 9
| |
| M V30 21 8 5 1
| |
| M V30 22 1 1 14
| |
| M V30 END BOND
| |
| M V30 BEGIN SGROUP
| |
| M V30 1 SUP 1 ATOMS=(2 15 16) BRKXYZ=(9 0.000000 0.000000 0.000000 0.000000 -
| |
| M V30 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0.000-
| |
| M V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LA-
| |
| M V30 BEL=CO
| |
| M V30 2 SUP 2 ATOMS=(2 17 18) BRKXYZ=(9 0.000000 0.000000 0.000000 0.000000 -
| |
| M V30 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0.000-
| |
| M V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LA-
| |
| M V30 BEL=CO
| |
| M V30 3 SUP 3 ATOMS=(2 19 20) BRKXYZ=(9 0.000000 0.000000 0.000000 0.000000 -
| |
| M V30 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0.000-
| |
| M V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LA-
| |
| M V30 BEL=CO
| |
| M V30 END SGROUP
| |
| M V30 END CTAB
| |
| M END
| |
| </chemform>
| |
| | |
| {| class="wikitable sortable mw-collapsible"
| |
| |+
| |
| !Entry
| |
| !CAT
| |
| !conc
| |
| !PS
| |
| !conc
| |
| !e-D
| |
| !conc
| |
| !Solvent
| |
| !lamdaexc
| |
| !irr time
| |
| !CO
| |
| !TON
| |
| !QY [%]
| |
| !further data
| |
| !link to experiment
| |
| |-
| |
| |1
| |
| |100006
| |
| |
| |
| |100012
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |2
| |
| |100006
| |
| |
| |
| |100013
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |3
| |
| |100006
| |
| |
| |
| |100014
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |4
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |}
| |
|
| |
|
| ==== Nickel-based catalysts ==== | | ==== Nickel-based catalysts ==== |
| <chemform id="4ec7cd14b6eeb" smiles="N12[Ni]N(CCNCCC1)CCCNCC2" isreaction="" inchi="1S/C10H24N4.Ni/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h11-14H,1-10H2;" inchikey="WFMYWHCCMCJJEQ-UHFFFAOYSA-N" height="200px" width="300px" float="none">
| |
| -INDIGO-07072219262D
| |
|
| |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 15 16 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 N 0.807974 0.932969 0.0 0
| |
| M V30 2 C 1.61595 0.466485 0.0 0
| |
| M V30 3 C 1.61595 -0.466485 0.0 0
| |
| M V30 4 N 0.807974 -0.932969 0.0 0
| |
| M V30 5 C 0.807974 -1.86594 0.0 0
| |
| M V30 6 C 0.0 -2.33242 0.0 0
| |
| M V30 7 C -0.807975 -1.86594 0.0 0
| |
| M V30 8 N -0.807975 -0.932969 0.0 0
| |
| M V30 9 C -1.61595 -0.466485 0.0 0
| |
| M V30 10 C -1.61595 0.466485 0.0 0
| |
| M V30 11 N -0.807975 0.932969 0.0 0
| |
| M V30 12 C -0.807975 1.86594 0.0 0
| |
| M V30 13 C 0.0 2.33242 0.0 0
| |
| M V30 14 C 0.807974 1.86594 0.0 0
| |
| M V30 15 Ni -0.05 -0.025 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 6
| |
| M V30 6 1 6 7
| |
| M V30 7 1 7 8
| |
| M V30 8 1 8 9
| |
| M V30 9 1 9 10
| |
| M V30 10 1 10 11
| |
| M V30 11 1 11 12
| |
| M V30 12 1 12 13
| |
| M V30 13 1 13 14
| |
| M V30 14 1 1 14
| |
| M V30 15 9 1 15
| |
| M V30 16 9 8 15
| |
| M V30 END BOND
| |
| M V30 END CTAB
| |
| M END
| |
| </chemform>
| |
|
| |
|
| {| class="wikitable sortable mw-collapsible"
| |
| |+
| |
| !Entry
| |
| !CAT
| |
| !conc
| |
| !PS
| |
| !conc
| |
| !e-D
| |
| !conc
| |
| !Solvent
| |
| !lamdaexc
| |
| !irr time
| |
| !CO
| |
| !TON
| |
| !QY [%]
| |
| !further data
| |
| !link to experiment
| |
| |-
| |
| |1
| |
| |100007
| |
| |
| |
| |100012
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |2
| |
| |100007
| |
| |
| |
| |100013
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |3
| |
| |100007
| |
| |
| |
| |100014
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |4
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |}
| |
|
| |
|
| ==== Cobalt-based catalysts ==== | | ==== Cobalt-based catalysts ==== |
| <chemform id="8e15d05671b1e" smiles="C1N2~[Co]34(~N5=C(C=CC=C5C5N~3=CC=CC=5)C3=N~4C=CC=C3)3~N4=C(C=CC=C4C4N~3=CC=CC=4)C=2C=CC=1" isreaction="" inchi="1S/2C15H11N3.Co/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;/h2*1-11H;" inchikey="KQXPYTLHISLCIG-UHFFFAOYSA-N" height="200px" width="300px" float="none">
| |
| -INDIGO-07072219262D
| |
|
| |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 37 46 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 C -0.610215 -2.25246 0.0 0
| |
| M V30 2 C -1.02864 -3.01146 0.0 0
| |
| M V30 3 C -1.89516 -3.0286 0.0 0
| |
| M V30 4 C -2.34327 -2.28673 0.0 0
| |
| M V30 5 C -1.92485 -1.52773 0.0 0
| |
| M V30 6 N -1.05832 -1.51059 0.0 0
| |
| M V30 7 C -2.37295 -0.785863 0.0 0
| |
| M V30 8 C -3.23948 -0.802998 0.0 0
| |
| M V30 9 C -3.68758 -0.061133 0.0 0
| |
| M V30 10 C -3.26916 0.69787 0.0 0
| |
| M V30 11 C -2.40263 0.715005 0.0 0
| |
| M V30 12 N -1.95453 -0.0268602 0.0 0
| |
| M V30 13 C -1.98421 1.47401 0.0 0
| |
| M V30 14 C -2.43231 2.21587 0.0 0
| |
| M V30 15 C -2.01389 2.97488 0.0 0
| |
| M V30 16 C -1.14736 2.99201 0.0 0
| |
| M V30 17 C -0.699257 2.25014 0.0 0
| |
| M V30 18 N -1.11768 1.49114 0.0 0
| |
| M V30 19 Co 0.096926 0.00199393 0.0 0
| |
| M V30 20 C 0.604714 2.24923 0.0 0
| |
| M V30 21 C 1.02123 3.00928 0.0 0
| |
| M V30 22 C 1.88771 3.0286 0.0 0
| |
| M V30 23 C 2.33768 2.28786 0.0 0
| |
| M V30 24 C 1.92116 1.52781 0.0 0
| |
| M V30 25 N 1.05468 1.50849 0.0 0
| |
| M V30 26 C 2.37113 0.787071 0.0 0
| |
| M V30 27 C 3.23761 0.806386 0.0 0
| |
| M V30 28 C 3.68758 0.0656493 0.0 0
| |
| M V30 29 C 3.27107 -0.694402 0.0 0
| |
| M V30 30 C 2.40459 -0.713717 0.0 0
| |
| M V30 31 N 1.95462 0.0270188 0.0 0
| |
| M V30 32 C 1.98807 -1.47377 0.0 0
| |
| M V30 33 C 2.43804 -2.21451 0.0 0
| |
| M V30 34 C 2.02153 -2.97456 0.0 0
| |
| M V30 35 C 1.15505 -2.99387 0.0 0
| |
| M V30 36 C 0.705079 -2.25314 0.0 0
| |
| M V30 37 N 1.12159 -1.49308 0.0 0
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 2 1 2
| |
| M V30 2 1 2 3
| |
| M V30 3 2 3 4
| |
| M V30 4 1 4 5
| |
| M V30 5 2 5 6
| |
| M V30 6 1 1 6
| |
| M V30 7 1 5 7
| |
| M V30 8 1 7 8
| |
| M V30 9 2 8 9
| |
| M V30 10 1 9 10
| |
| M V30 11 2 10 11
| |
| M V30 12 1 11 12
| |
| M V30 13 2 7 12
| |
| M V30 14 1 11 13
| |
| M V30 15 2 13 14
| |
| M V30 16 1 14 15
| |
| M V30 17 2 15 16
| |
| M V30 18 1 16 17
| |
| M V30 19 2 17 18
| |
| M V30 20 1 13 18
| |
| M V30 21 2 20 21
| |
| M V30 22 1 21 22
| |
| M V30 23 2 22 23
| |
| M V30 24 1 23 24
| |
| M V30 25 2 24 25
| |
| M V30 26 1 20 25
| |
| M V30 27 1 24 26
| |
| M V30 28 1 26 27
| |
| M V30 29 2 27 28
| |
| M V30 30 1 28 29
| |
| M V30 31 2 29 30
| |
| M V30 32 1 30 31
| |
| M V30 33 2 26 31
| |
| M V30 34 1 30 32
| |
| M V30 35 2 32 33
| |
| M V30 36 1 33 34
| |
| M V30 37 2 34 35
| |
| M V30 38 1 35 36
| |
| M V30 39 2 36 37
| |
| M V30 40 1 32 37
| |
| M V30 41 8 25 19
| |
| M V30 42 8 18 19
| |
| M V30 43 8 12 19
| |
| M V30 44 8 6 19
| |
| M V30 45 8 37 19
| |
| M V30 46 8 31 19
| |
| M V30 END BOND
| |
| M V30 END CTAB
| |
| M END
| |
| </chemform><!-- Hier eine Liste einfügen, die die Experimente zusammenfasst, die
| |
| - als type chemical conversion haben
| |
| - als startmaterial "CO2" haben
| |
| - als product CO haben
| |
| - acts as catalyst eine Organometallverbindung vorweisen
| |
| - Einträge die im Molekül, das als Katalysator wirkt, ein CO haben
| |
| - es sollen nur die Spalten abgebildet werden, die auch hier verfügbar sind (auch wenn die Experimente mehrere Spalten zuätzlich beinhalten) -->
| |
|
| |
| {| class="wikitable sortable mw-collapsible"
| |
| |+
| |
| !Entry
| |
| !CAT
| |
| !conc
| |
| !PS
| |
| !conc
| |
| !e-D
| |
| !conc
| |
| !Solvent
| |
| !lamdaexc
| |
| !irr time
| |
| !CO
| |
| !TON
| |
| !QY [%]
| |
| !further data
| |
| !link to experiment
| |
| |-
| |
| |1
| |
| |100008
| |
| |
| |
| |100012
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |2
| |
| |100008
| |
| |
| |
| |100013
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |3
| |
| |100008
| |
| |
| |
| |100014
| |
| |
| |
| |100010
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |4
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |}
| |
|
| |
|
| |
|
| == Combined Systems == | | == Combined Systems == |
Line 1,599: |
Line 291: |
| == Sacrificial electron donors == | | == Sacrificial electron donors == |
|
| |
|
| <chemform id="3c58b8ad04f69" smiles="CCN(CC)CC" isreaction="" inchi="1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" inchikey="ZMANZCXQSJIPKH-UHFFFAOYSA-N" height="200px" width="300px" float="left"> | | <chemform smiles="N(CC)(CC)CC" inchikey="ZMANZCXQSJIPKH-UHFFFAOYSA-N" inchi="1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" float="none" width="200" height="200"> |
| -INDIGO-07072219282D | | -INDIGO-01042416522D |
|
| |
|
| 0 0 0 0 0 0 0 0 0 0 0 V3000 | | 0 0 0 0 0 0 0 0 0 0 0 V3000 |
Line 1,606: |
Line 298: |
| M V30 COUNTS 7 6 0 0 0 | | M V30 COUNTS 7 6 0 0 0 |
| M V30 BEGIN ATOM | | M V30 BEGIN ATOM |
| M V30 1 C 3.56699 -4.675 0.0 0 | | M V30 1 N 9.05997 -6.33177 0.0 0 |
| M V30 2 C 4.43301 -4.175 0.0 0 | | M V30 2 C 8.35579 -5.63333 0.0 0 |
| M V30 3 N 5.29904 -4.675 0.0 0 | | M V30 3 C 7.39895 -5.89012 0.0 0 |
| M V30 4 C 6.16506 -4.175 0.0 0 | | M V30 4 C 10.0472 -6.05249 0.0 0 |
| M V30 5 C 7.03109 -4.675 0.0 0 | | M V30 5 C 10.7737 -6.74539 0.0 0 |
| M V30 6 C 5.29904 -5.675 0.0 0 | | M V30 6 C 8.81579 -7.28361 0.0 0 |
| M V30 7 C 4.43301 -6.175 0.0 0 | | M V30 7 C 9.54063 -7.97968 0.0 0 |
| M V30 END ATOM | | M V30 END ATOM |
| M V30 BEGIN BOND | | M V30 BEGIN BOND |
| M V30 1 1 1 2 | | M V30 1 1 1 2 |
| M V30 2 1 2 3 | | M V30 2 1 2 3 |
| M V30 3 1 3 4 | | M V30 3 1 1 4 |
| M V30 4 1 4 5 | | M V30 4 1 4 5 |
| M V30 5 1 3 6 | | M V30 5 1 1 6 |
| M V30 6 1 6 7 | | M V30 6 1 6 7 |
| M V30 END BOND | | M V30 END BOND |
Line 1,833: |
Line 525: |
| M V30 END CTAB | | M V30 END CTAB |
| M END | | M END |
| </chemform> | | </chemform> |
| | |
| {| class="wikitable"
| |
| |+
| |
| -
| |
| !Entry
| |
| !CAT
| |
| !PS
| |
| !e-D
| |
| !Solvent
| |
| !lamdaexc
| |
| !irr time
| |
| !CO
| |
| !TON
| |
| !Fara [%]
| |
| !H2
| |
| !TON
| |
| !Fara [%]
| |
| !HCO2H
| |
| !TON
| |
| !QY [%]
| |
| !CH4
| |
| !TON
| |
| !Fara [%]
| |
| !Ref
| |
| |-
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |-
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |
| |}
| |
| | |
| === Additional information/Literature === | | === Additional information/Literature === |
|
| |
|
|
| |
|
| {{#literature:|doi=https://doi.org/10.1002/cssc.202001143}}, {{#literature:|doi=https://pubs.acs.org/doi/10.1021/acs.inorgchem.0c02914}} | | {{#literature:|doi=https://doi.org/10.1002/cssc.202001143}}, {{#literature:|doi=https://pubs.acs.org/doi/10.1021/acs.inorgchem.0c02914}} |