Molecule:100777: Difference between revisions

InChI	1S/3C12H8N2.2F6P.Ru/c31-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;21-7(2,3,4,5)6;/h31-8H;;;/q;;;2-1;+2
InChI-Key	YRYUXGTVQZIGNQ-UHFFFAOYSA-N
SMILES	C1C2C=CC3C=CC=N4[Ru+2]5(N6=CC=CC7C=CC8C=CC=N5C=8C=76)5(N6=CC=CC7C=CC8C=CC=N5C=8C=76)N(C=2C=34)=CC=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Properties
CID	15198714
CAS	60804-75-3
IUPAC-Name	1,10-phenanthroline;ruthenium(2+);dihexafluorophosphate
Abbreviation	[Ru(phen)3][PF6]2
Trivialname	1,10-phenanthroline;ruthenium(2+);dihexafluorophosphate
Exact mass	932.038947
Molecular formula	C36H24F12N6P2Ru
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	1,10-phenanthroline;ruthenium(2+);dihexafluorophosphate, T3208

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Revision as of 14:33, 13 December 2024

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[Ru(phen)3][PF6]2

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Molecule is used on following pages

topic

publication

Photocatalytic Carbon Dioxide Reduction Using Nickel Complexes as Catalysts
A Cu(I) Co(II) cryptate for the visible light-driven reduction of CO2
A Dinuclear Cobalt Cryptate as a Homogeneous Photocatalyst for Highly Selective and Efficient Visible-Light Driven CO2 Reduction to CO in CH3CN-H2O Solution
Dinuclear Metal Synergistic Catalysis Boosts Photochemical CO2-to-CO Conversion
Highly efficient and selective visible-light driven CO2-to-CO conversion by a Co-based cryptate in H2O-CH3CN solution
Product Control in Visible-Light-Driven CO2 Reduction by Switching Metal Centers of Binuclear Catalysts

investigation

Molecule roles

Investigation type	Photosensitizer
Photocatalytic CO2 conversion experiments	Best result and control experiments Photocatalytic reduction of CO2 Table 1 Table 2 photocatalytic CO2 conversion under different conditions
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
Ultraviolett Visuell experiments

@@ Line 11: / Line 11: @@
 |moleculeKey=YRYUXGTVQZIGNQ-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-11272317572D
+   -INDIGO-12132414312D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 17: / Line 17: @@
 M  V30 COUNTS 57 66 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 7.74169 -2.0161 0.0 0
+M  V30 1 C -4.4482 1.5953 0.0 0
-M  V30 2 C 9.23993 -1.15053 0.0 0
+M  V30 2 C -4.4482 0.7732 0.0 0
-M  V30 3 C 8.2423 -1.1496 0.0 0
+M  V30 3 C -3.7362 0.3621 0.0 0
-M  V30 4 C 9.74041 -2.01737 0.0 0
+M  V30 4 N -3.0242 0.7732 0.0 0
-M  V30 5 C 8.24416 -2.88641 0.0 0
+M  V30 5 C -3.0242 1.5953 0.0 0
-M  V30 6 C 9.24422 -2.88061 0.0 0
+M  V30 6 C -3.7362 2.0064 0.0 0
-M  V30 7 C 10.733 -2.0161 0.0 0
+M  V30 7 C -2.3122 2.0064 0.0 0
-M  V30 8 C 11.2329 -2.87748 0.0 0
+M  V30 8 C -2.3122 2.8285 0.0 0
-M  V30 9 N 9.74609 -3.74544 0.0 0
+M  V30 9 C -3.0242 3.2396 0.0 0
-M  V30 10 C 10.7411 -3.73748 0.0 0
+M  V30 10 C -3.7362 2.8285 0.0 0
-M  V30 11 N 7.74268 -3.75372 0.0 0
+M  V30 11 N -1.6002 1.5953 0.0 0
-M  V30 12 C 6.7375 -3.75401 0.0 0
+M  V30 12 C -0.8882 2.0064 0.0 0
-M  V30 13 C 6.7325 -2.01639 0.0 0
+M  V30 13 C -0.8882 2.8285 0.0 0
-M  V30 14 C 6.23564 -2.88918 0.0 0
+M  V30 14 C -1.6002 3.2396 0.0 0
-M  V30 15 C 6.29324 -8.13235 0.0 0
+M  V30 15 C -1.6002 -3.2396 0.0 0
-M  V30 16 C 4.794 -7.26733 0.0 0
+M  V30 16 C -0.8882 -2.8285 0.0 0
-M  V30 17 C 5.29219 -8.13206 0.0 0
+M  V30 17 C -0.8882 -2.0064 0.0 0
-M  V30 18 C 5.29465 -6.40019 0.0 0
+M  V30 18 N -1.6002 -1.5953 0.0 0
-M  V30 19 C 6.79588 -7.26175 0.0 0
+M  V30 19 C -2.3122 -2.0064 0.0 0
-M  V30 20 C 6.29067 -6.39827 0.0 0
+M  V30 20 C -2.3122 -2.8285 0.0 0
-M  V30 21 C 4.79707 -5.5409 0.0 0
+M  V30 21 C -3.0242 -1.5953 0.0 0
-M  V30 22 C 5.29328 -4.67702 0.0 0
+M  V30 22 C -3.7362 -2.0064 0.0 0
-M  V30 23 N 6.78887 -5.53094 0.0 0
+M  V30 23 C -3.7362 -2.8285 0.0 0
-M  V30 24 C 6.28429 -4.67292 0.0 0
+M  V30 24 C -3.0242 -3.2396 0.0 0
-M  V30 25 N 7.79808 -7.26239 0.0 0
+M  V30 25 N -3.0242 -0.7732 0.0 0
-M  V30 26 C 8.30108 -8.13305 0.0 0
+M  V30 26 C -3.7362 -0.3621 0.0 0
-M  V30 27 C 6.79826 -9.00649 0.0 0
+M  V30 27 C -4.4482 -0.7732 0.0 0
-M  V30 28 C 7.80288 -9.00038 0.0 0
+M  V30 28 C -4.4482 -1.5953 0.0 0
-M  V30 29 C 12.4406 -6.42837 0.0 0
+M  V30 29 C 1.163 1.6443 0.0 0
-M  V30 30 C 12.4411 -8.15926 0.0 0
+M  V30 30 C 0.451 2.0553 0.0 0
-M  V30 31 C 12.9409 -7.29545 0.0 0
+M  V30 31 C -0.261 1.6443 0.0 0
-M  V30 32 C 11.4398 -8.15926 0.0 0
+M  V30 32 N -0.261 0.8221 0.0 0
-M  V30 33 C 11.4353 -6.42837 0.0 0
+M  V30 33 C 0.451 0.4111 0.0 0
-M  V30 34 C 10.9402 -7.29763 0.0 0
+M  V30 34 C 1.163 0.8221 0.0 0
-M  V30 35 C 10.9444 -9.01982 0.0 0
+M  V30 35 C 0.451 -0.4111 0.0 0
-M  V30 36 C 9.9482 -9.02202 0.0 0
+M  V30 36 C 1.163 -0.8221 0.0 0
-M  V30 37 N 9.93992 -7.29985 0.0 0
+M  V30 37 C 1.875 -0.4111 0.0 0
-M  V30 38 C 9.44915 -8.16583 0.0 0
+M  V30 38 C 1.875 0.4111 0.0 0
-M  V30 39 N 10.9348 -5.56012 0.0 0
+M  V30 39 N -0.261 -0.8221 0.0 0
-M  V30 40 C 11.4373 -4.68917 0.0 0
+M  V30 40 C -0.261 -1.6443 0.0 0
-M  V30 41 C 12.9451 -5.55394 0.0 0
+M  V30 41 C 0.451 -2.0553 0.0 0
-M  V30 42 C 12.4375 -4.68696 0.0 0
+M  V30 42 C 1.163 -1.6443 0.0 0
-M  V30 43 Ru 8.79268 -5.51974 0.0 0 CHG=2
+M  V30 43 Ru -1.6285 0.0 0.0 0 CHG=2
-M  V30 44 P 13.167 -3.025 0.0 0 CHG=-1
+M  V30 44 F 3.7337 0.5755 0.0 0
-M  V30 45 F 14.033 -2.525 0.0 0
+M  V30 45 P 3.7337 1.4005 0.0 0 CHG=-1
-M  V30 46 F 12.301 -2.525 0.0 0
+M  V30 46 F 3.0192 1.813 0.0 0
-M  V30 47 F 13.167 -4.025 0.0 0
+M  V30 47 F 4.4481 1.813 0.0 0
-M  V30 48 F 14.033 -3.525 0.0 0
+M  V30 48 F 3.7337 2.2255 0.0 0
-M  V30 49 F 13.167 -2.025 0.0 0
+M  V30 49 F 4.4481 0.988 0.0 0
-M  V30 50 F 12.301 -3.525 0.0 0
+M  V30 50 F 3.0192 0.988 0.0 0
-M  V30 51 P 4.5 -3.0 0.0 0 CHG=-1
+M  V30 51 F 3.7337 -2.4719 0.0 0
-M  V30 52 F 5.36603 -2.5 0.0 0
+M  V30 52 P 3.7337 -1.6469 0.0 0 CHG=-1
-M  V30 53 F 3.63397 -2.5 0.0 0
+M  V30 53 F 3.0192 -1.2344 0.0 0
-M  V30 54 F 4.5 -4.0 0.0 0
+M  V30 54 F 4.4482 -1.2344 0.0 0
-M  V30 55 F 5.36603 -3.5 0.0 0
+M  V30 55 F 3.7337 -0.8219 0.0 0
-M  V30 56 F 4.5 -2.0 0.0 0
+M  V30 56 F 4.4482 -2.0594 0.0 0
-M  V30 57 F 3.63397 -3.5 0.0 0
+M  V30 57 F 3.0192 -2.0594 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 2 3 1
+M  V30 1 2 1 2
-M  V30 2 2 4 2
+M  V30 2 1 2 3
-M  V30 3 1 1 5
+M  V30 3 2 3 4
-M  V30 4 1 2 3
+M  V30 4 1 4 5
 M  V30 5 2 5 6
-M  V30 6 1 6 4
+M  V30 6 1 6 1
-M  V30 7 2 8 7
+M  V30 7 1 5 7
-M  V30 8 1 6 9
+M  V30 8 2 7 8
-M  V30 9 1 7 4
+M  V30 9 1 8 9
 M  V30 10 2 9 10
-M  V30 11 1 10 8
+M  V30 11 1 10 6
-M  V30 12 2 12 11
+M  V30 12 1 7 11
-M  V30 13 1 1 13
+M  V30 13 2 11 12
-M  V30 14 1 11 5
+M  V30 14 1 12 13
 M  V30 15 2 13 14
-M  V30 16 1 14 12
+M  V30 16 1 14 8
-M  V30 17 2 17 15
+M  V30 17 2 15 16
-M  V30 18 2 18 16
+M  V30 18 1 16 17
-M  V30 19 1 15 19
+M  V30 19 2 17 18
-M  V30 20 1 16 17
+M  V30 20 1 18 19
 M  V30 21 2 19 20
-M  V30 22 1 20 18
+M  V30 22 1 20 15
-M  V30 23 2 22 21
+M  V30 23 1 19 21
-M  V30 24 1 20 23
+M  V30 24 2 21 22
-M  V30 25 1 21 18
+M  V30 25 1 22 23
 M  V30 26 2 23 24
-M  V30 27 1 24 22
+M  V30 27 1 24 20
-M  V30 28 2 26 25
+M  V30 28 1 21 25
-M  V30 29 1 15 27
+M  V30 29 2 25 26
-M  V30 30 1 25 19
+M  V30 30 1 26 27
 M  V30 31 2 27 28
-M  V30 32 1 28 26
+M  V30 32 1 28 22
-M  V30 33 2 31 29
+M  V30 33 2 29 30
-M  V30 34 2 32 30
+M  V30 34 1 30 31
-M  V30 35 1 29 33
+M  V30 35 2 31 32
-M  V30 36 1 30 31
+M  V30 36 1 32 33
 M  V30 37 2 33 34
-M  V30 38 1 34 32
+M  V30 38 1 34 29
-M  V30 39 2 36 35
+M  V30 39 1 33 35
-M  V30 40 1 34 37
+M  V30 40 2 35 36
-M  V30 41 1 35 32
+M  V30 41 1 36 37
 M  V30 42 2 37 38
-M  V30 43 1 38 36
+M  V30 43 1 38 34
-M  V30 44 2 40 39
+M  V30 44 1 35 39
-M  V30 45 1 29 41
+M  V30 45 2 39 40
-M  V30 46 1 39 33
+M  V30 46 1 40 41
 M  V30 47 2 41 42
-M  V30 48 1 42 40
+M  V30 48 1 42 36
-M  V30 49 10 11 43
+M  V30 49 10 4 43
-M  V30 50 10 43 9
+M  V30 50 10 11 43
-M  V30 51 10 39 43
+M  V30 51 10 18 43
-M  V30 52 10 43 37
+M  V30 52 10 25 43
-M  V30 53 10 25 43
+M  V30 53 10 32 43
-M  V30 54 10 43 23
+M  V30 54 10 39 43
 M  V30 55 1 44 45
-M  V30 56 1 44 46
+M  V30 56 1 45 46
-M  V30 57 1 44 47
+M  V30 57 1 45 47
-M  V30 58 1 44 48
+M  V30 58 1 45 48
-M  V30 59 1 44 49
+M  V30 59 1 45 49
-M  V30 60 1 44 50
+M  V30 60 1 45 50
 M  V30 61 1 51 52
-M  V30 62 1 51 53
+M  V30 62 1 52 53
-M  V30 63 1 51 54
+M  V30 63 1 52 54
-M  V30 64 1 51 55
+M  V30 64 1 52 55
-M  V30 65 1 51 56
+M  V30 65 1 52 56
-M  V30 66 1 51 57
+M  V30 66 1 52 57
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C12C=CC=N3[Ru+2]4(N5=CC=CC6C5=C5N4=CC=CC5=CC=6)4(N5=CC=CC6C5=C5N4=CC=CC5=CC=6)N4=CC=CC(C4=C13)=CC=2.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F
+|smiles=C1C2C=CC3C=CC=N4[Ru+2]5(N6=CC=CC7C=CC8C=CC=N5C=8C=76)5(N6=CC=CC7C=CC8C=CC=N5C=8C=76)N(C=2C=34)=CC=1.F[P-](F)(F)(F)(F)F.F[P-](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

Molecule:100777: Difference between revisions

Revision as of 14:33, 13 December 2024

Molecule is used on following pages

Molecule roles

Records for role ""

Topics

Molecule:100777: Difference between revisions

Revision as of 14:33, 13 December 2024

Molecule is used on following pages

Molecule roles

Records for role ""

Current site

Topics