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	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

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

Latest revision as of 16:07, 23 May 2024

‎

[Ru(phen)3][PF6]2

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

Homogeneous photocatalytic CO2 conversion

publication

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

investigation

Molecule roles

Investigation type	Photosensitizer
Photocatalytic CO2 conversion experiments	Best result and control experiments Photocatalytic reduction of CO2 photocatalytic CO2 conversion under different conditions
Cyclic Voltammetry experiments

@@ Line 11: / Line 11: @@
 |moleculeKey=YRYUXGTVQZIGNQ-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-02282410512D
+   -INDIGO-11272317572D
   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 4.91471 -4.00746 0.0 0
+M  V30 1 C 7.74169 -2.0161 0.0 0
-M  V30 2 C 6.4899 -4.00702 0.0 0
+M  V30 2 C 9.23993 -1.15053 0.0 0
-M  V30 3 C 5.7038 -3.55219 0.0 0
+M  V30 3 C 8.2423 -1.1496 0.0 0
-M  V30 4 N 6.4899 -4.91823 0.0 0
+M  V30 4 C 9.74041 -2.01737 0.0 0
-M  V30 5 C 4.91471 -4.92232 0.0 0
+M  V30 5 C 8.24416 -2.88641 0.0 0
-M  V30 6 C 5.70579 -5.37295 0.0 0
+M  V30 6 C 9.24422 -2.88061 0.0 0
-M  V30 7 C 5.70522 -2.64677 0.0 0
+M  V30 7 C 10.733 -2.0161 0.0 0
-M  V30 8 C 6.49223 -2.19307 0.0 0
+M  V30 8 C 11.2329 -2.87748 0.0 0
-M  V30 9 C 7.28005 -3.5515 0.0 0
+M  V30 9 N 9.74609 -3.74544 0.0 0
-M  V30 10 C 7.27538 -2.64389 0.0 0
+M  V30 10 C 10.7411 -3.73748 0.0 0
-M  V30 11 C 8.05694 -2.18795 0.0 0
+M  V30 11 N 7.74268 -3.75372 0.0 0
-M  V30 12 C 8.8456 -2.63759 0.0 0
+M  V30 12 C 6.7375 -3.75401 0.0 0
-M  V30 13 N 8.07187 -4.00294 0.0 0
+M  V30 13 C 6.7325 -2.01639 0.0 0
-M  V30 14 C 8.85225 -3.54062 0.0 0
+M  V30 14 C 6.23564 -2.88918 0.0 0
-M  V30 15 C 11.4788 -3.9223 0.0 0
+M  V30 15 C 6.29324 -8.13235 0.0 0
-M  V30 16 C 10.6899 -5.2897 0.0 0
+M  V30 16 C 4.794 -7.26733 0.0 0
-M  V30 17 C 11.4785 -4.83532 0.0 0
+M  V30 17 C 5.29219 -8.13206 0.0 0
-M  V30 18 N 9.89896 -4.83309 0.0 0
+M  V30 18 C 5.29465 -6.40019 0.0 0
-M  V30 19 C 10.6848 -3.46385 0.0 0
+M  V30 19 C 6.79588 -7.26175 0.0 0
-M  V30 20 C 9.89723 -3.92465 0.0 0
+M  V30 20 C 6.29067 -6.39827 0.0 0
-M  V30 21 C 12.2637 -5.29028 0.0 0
+M  V30 21 C 4.79707 -5.5409 0.0 0
-M  V30 22 C 12.2631 -6.2007 0.0 0
+M  V30 22 C 5.29328 -4.67702 0.0 0
-M  V30 23 C 10.6892 -6.20376 0.0 0
+M  V30 23 N 6.78887 -5.53094 0.0 0
-M  V30 24 C 11.4793 -6.65453 0.0 0
+M  V30 24 C 6.28429 -4.67292 0.0 0
-M  V30 25 C 11.4834 -7.56135 0.0 0
+M  V30 25 N 7.79808 -7.26239 0.0 0
-M  V30 26 C 10.698 -8.02056 0.0 0
+M  V30 26 C 8.30108 -8.13305 0.0 0
-M  V30 27 N 9.90069 -6.66481 0.0 0
+M  V30 27 C 6.79826 -9.00649 0.0 0
-M  V30 28 C 9.91089 -7.5738 0.0 0
+M  V30 28 C 7.80288 -9.00038 0.0 0
-M  V30 29 C 8.11624 -9.51205 0.0 0
+M  V30 29 C 12.4406 -6.42837 0.0 0
-M  V30 30 C 7.32651 -8.14512 0.0 0
+M  V30 30 C 12.4411 -8.15926 0.0 0
-M  V30 31 C 7.32567 -9.05534 0.0 0
+M  V30 31 C 12.9409 -7.29545 0.0 0
-M  V30 32 N 8.1174 -7.6885 0.0 0
+M  V30 32 C 11.4398 -8.15926 0.0 0
-M  V30 33 C 8.91029 -9.05364 0.0 0
+M  V30 33 C 11.4353 -6.42837 0.0 0
-M  V30 34 C 8.905 -8.14121 0.0 0
+M  V30 34 C 10.9402 -7.29763 0.0 0
-M  V30 35 C 6.53911 -9.50777 0.0 0
+M  V30 35 C 10.9444 -9.01982 0.0 0
-M  V30 36 C 5.75095 -9.05209 0.0 0
+M  V30 36 C 9.9482 -9.02202 0.0 0
-M  V30 37 C 6.5352 -7.68758 0.0 0
+M  V30 37 N 9.93992 -7.29985 0.0 0
-M  V30 38 C 5.74979 -8.14645 0.0 0
+M  V30 38 C 9.44915 -8.16583 0.0 0
-M  V30 39 C 4.96242 -7.69657 0.0 0
+M  V30 39 N 10.9348 -5.56012 0.0 0
-M  V30 40 C 4.95746 -6.78674 0.0 0
+M  V30 40 C 11.4373 -4.68917 0.0 0
-M  V30 41 N 6.53024 -6.77411 0.0 0
+M  V30 41 C 12.9451 -5.55394 0.0 0
-M  V30 42 C 5.73792 -6.32846 0.0 0
+M  V30 42 C 12.4375 -4.68696 0.0 0
-M  V30 43 Ru 8.07486 -5.78307 0.0 0 CHG=2
+M  V30 43 Ru 8.79268 -5.51974 0.0 0 CHG=2
-M  V30 44 P 14.3889 -3.14255 0.0 0 CHG=-1
+M  V30 44 P 13.167 -3.025 0.0 0 CHG=-1
-M  V30 45 F 15.1773 -2.68737 0.0 0
+M  V30 45 F 14.033 -2.525 0.0 0
-M  V30 46 F 13.6006 -2.68737 0.0 0
+M  V30 46 F 12.301 -2.525 0.0 0
-M  V30 47 F 14.3889 -4.05291 0.0 0
+M  V30 47 F 13.167 -4.025 0.0 0
-M  V30 48 F 15.1773 -3.59773 0.0 0
+M  V30 48 F 14.033 -3.525 0.0 0
-M  V30 49 F 14.3889 -2.23219 0.0 0
+M  V30 49 F 13.167 -2.025 0.0 0
-M  V30 50 F 13.6006 -3.59773 0.0 0
+M  V30 50 F 12.301 -3.525 0.0 0
-M  V30 51 P 14.8969 -5.87362 0.0 0 CHG=-1
+M  V30 51 P 4.5 -3.0 0.0 0 CHG=-1
-M  V30 52 F 15.6853 -5.41845 0.0 0
+M  V30 52 F 5.36603 -2.5 0.0 0
-M  V30 53 F 14.1085 -5.41845 0.0 0
+M  V30 53 F 3.63397 -2.5 0.0 0
-M  V30 54 F 14.8969 -6.78398 0.0 0
+M  V30 54 F 4.5 -4.0 0.0 0
-M  V30 55 F 15.6853 -6.3288 0.0 0
+M  V30 55 F 5.36603 -3.5 0.0 0
-M  V30 56 F 14.8969 -4.96327 0.0 0
+M  V30 56 F 4.5 -2.0 0.0 0
-M  V30 57 F 14.1085 -6.3288 0.0 0
+M  V30 57 F 3.63397 -3.5 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 1 3 1
+M  V30 1 2 3 1
-M  V30 2 1 4 2
+M  V30 2 2 4 2
-M  V30 3 2 1 5
+M  V30 3 1 1 5
-M  V30 4 2 2 3
+M  V30 4 1 2 3
-M  V30 5 1 5 6
+M  V30 5 2 5 6
-M  V30 6 2 6 4
+M  V30 6 1 6 4
 M  V30 7 2 8 7
-M  V30 8 1 2 9
+M  V30 8 1 6 9
-M  V30 9 1 7 3
+M  V30 9 1 7 4
 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 13 1 1 13
-M  V30 14 1 11 10
+M  V30 14 1 11 5
 M  V30 15 2 13 14
 M  V30 16 1 14 12
-M  V30 17 1 17 15
+M  V30 17 2 17 15
-M  V30 18 1 18 16
+M  V30 18 2 18 16
-M  V30 19 2 15 19
+M  V30 19 1 15 19
-M  V30 20 2 16 17
+M  V30 20 1 16 17
-M  V30 21 1 19 20
+M  V30 21 2 19 20
-M  V30 22 2 20 18
+M  V30 22 1 20 18
 M  V30 23 2 22 21
-M  V30 24 1 16 23
+M  V30 24 1 20 23
-M  V30 25 1 21 17
+M  V30 25 1 21 18
 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 29 1 15 27
-M  V30 30 1 25 24
+M  V30 30 1 25 19
 M  V30 31 2 27 28
 M  V30 32 1 28 26
-M  V30 33 1 31 29
+M  V30 33 2 31 29
-M  V30 34 1 32 30
+M  V30 34 2 32 30
-M  V30 35 2 29 33
+M  V30 35 1 29 33
-M  V30 36 2 30 31
+M  V30 36 1 30 31
-M  V30 37 1 33 34
+M  V30 37 2 33 34
-M  V30 38 2 34 32
+M  V30 38 1 34 32
 M  V30 39 2 36 35
-M  V30 40 1 30 37
+M  V30 40 1 34 37
-M  V30 41 1 35 31
+M  V30 41 1 35 32
 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 45 1 29 41
-M  V30 46 1 39 38
+M  V30 46 1 39 33
 M  V30 47 2 41 42
 M  V30 48 1 42 40
-M  V30 49 10 4 43
+M  V30 49 10 11 43
-M  V30 50 10 43 13
+M  V30 50 10 43 9
-M  V30 51 10 43 18
+M  V30 51 10 39 43
-M  V30 52 10 43 27
+M  V30 52 10 43 37
-M  V30 53 10 43 32
+M  V30 53 10 25 43
-M  V30 54 10 43 41
+M  V30 54 10 43 23
 M  V30 55 1 44 45
 M  V30 56 1 44 46
@@ Line 145: / Line 145: @@
 M  V30 END CTAB
 M  END
-|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
+|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
 |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

Latest revision as of 16:07, 23 May 2024

Molecule is used on following pages

Molecule roles

Current site

Topics