Molecule:100659: Difference between revisions

InChI	1S/3C12H12N2.2F6P.Ru/c31-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;21-7(2,3,4,5)6;/h33-8H,1-2H3;;;/q;;;2-1;+2
InChI-Key	YTWDDICTMKIOIQ-UHFFFAOYSA-N
SMILES	C(C)1C=CN2[Ru+2]3(N4=CC=C(C)C=C4C4C=C(C)C=CN=43)3(N4=CC=C(C)C=C4C4C=C(C)C=CN=43)N3=CC=C(C)C=C3C=2C=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Properties
CID	15198704
CAS	n/a
IUPAC-Name	4-methyl-2-(4-methylpyridin-2-yl)pyridine;ruthenium(2+);dihexafluorophosphate
Abbreviation	[Ru(dmb)3][PF6]2
Trivialname	Ru(DMB)3(PF6)2
Exact mass	944.132847
Molecular formula	C36H36F12N6P2Ru
LogP	n/a
Has vendors	true
Molecular role	photosensitizer
Synonyms	Ru(DMB)3(PF6)2, C76671, EN300-19370044, lambda2-ruthenium(2+) ion tris(4-methyl-2-(4-methylpyridin-2-yl)pyridine) bis(hexafluoro-lambda5-phosphanuide)

Latest revision as of 14:13, 6 September 2024

‎

[Ru(dmb)3][PF6]2

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Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3
Photocatalytic CO2 Reduction under Visible-Light Irradiation by Ruthenium CNC Pincer Complexes
Photocatalytic CO2 reduction using a Mn complex as a catalyst

investigation

Photocatalytic CO2 reduction using a Mn complex as a catalyst/Photocatalytic CO2 reduction: conditions optimization
Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3/Table 1
Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3/Table 2
Photocatalytic CO2 Reduction under Visible-Light Irradiation by Ruthenium CNC Pincer Complexes/Conditions optimizations for photocatalytic reduction of CO2

@@ Line 1: / Line 1: @@
 {{Molecule
 |abbrev=[Ru(dmb)3][PF6]2
-|trivialname=ru(dmb)3(pf6)2
+|trivialname=Ru(DMB)3(PF6)2
+|molecular_role=photosensitizer
 |cid=15198704
 |iupacName=4-methyl-2-(4-methylpyridin-2-yl)pyridine;ruthenium(2+);dihexafluorophosphate
 |molecularMass=944.132847
 |molecularFormula=C<sub>36</sub>H<sub>36</sub>F<sub>12</sub>N<sub>6</sub>P<sub>2</sub>Ru
-|synonyms=ru(dmb)3(pf6)2,c76671,en300-19370044,lambda2-ruthenium(2+) ion tris(4-methyl-2-(4-methylpyridin-2-yl)pyridine) bis(hexafluoro-lambda5-phosphanuide)
+|synonyms=Ru(DMB)3(PF6)2$C76671$EN300-19370044$lambda2-ruthenium(2+) ion tris(4-methyl-2-(4-methylpyridin-2-yl)pyridine) bis(hexafluoro-lambda5-phosphanuide)
 |hasVendors=true
 |moleculeKey=YTWDDICTMKIOIQ-UHFFFAOYSA-N
-|molOrRxn=
+|molOrRxn=-INDIGO-01102416002D
-  -INDIGO-02132417222D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 16: / Line 16: @@
 M  V30 COUNTS 57 63 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 P 14.4 0.425 0.0 0 CHG=-1
+M  V30 1 C 20.2257 -2.15948 0.0 0
-M  V30 2 F 14.4 -0.575 0.0 0
+M  V30 2 C 21.7244 -3.02421 0.0 0
-M  V30 3 F 14.4 1.425 0.0 0
+M  V30 3 C 21.2264 -2.15976 0.0 0
-M  V30 4 F 13.534 0.925 0.0 0
+M  V30 4 N 21.224 -3.89105 0.0 0
-M  V30 5 F 15.266 -0.075 0.0 0
+M  V30 5 C 19.7232 -3.02978 0.0 0
-M  V30 6 F 15.266 0.925 0.0 0
+M  V30 6 C 20.2283 -3.89296 0.0 0
-M  V30 7 F 13.534 -0.075 0.0 0
+M  V30 7 C 22.7244 -3.02467 0.0 0
-M  V30 8 P 14.45 -3.325 0.0 0 CHG=-1
+M  V30 8 C 24.2225 -2.15879 0.0 0
-M  V30 9 F 14.45 -4.325 0.0 0
+M  V30 9 C 23.2249 -2.15807 0.0 0
-M  V30 10 F 14.45 -2.325 0.0 0
+M  V30 10 C 24.7232 -3.02553 0.0 0
-M  V30 11 F 13.584 -2.825 0.0 0
+M  V30 11 N 23.2271 -3.89488 0.0 0
-M  V30 12 F 15.316 -3.825 0.0 0
+M  V30 12 C 24.2272 -3.88888 0.0 0
-M  V30 13 F 15.316 -2.825 0.0 0
+M  V30 13 C 24.7307 -4.75287 0.0 0
-M  V30 14 F 13.584 -3.825 0.0 0
+M  V30 14 C 26.2335 -5.6105 0.0 0
-M  V30 15 C 3.85985 -1.02507 0.0 0
+M  V30 15 C 25.7314 -4.74842 0.0 0
-M  V30 16 C 5.59015 -1.02459 0.0 0
+M  V30 16 C 25.7371 -6.4797 0.0 0
-M  V30 17 C 4.72664 -0.524967 0.0 0
+M  V30 17 N 24.2323 -5.62555 0.0 0
-M  V30 18 N 5.59015 -2.02553 0.0 0
+M  V30 18 C 24.7414 -6.48632 0.0 0
-M  V30 19 C 3.85985 -2.03002 0.0 0
+M  V30 19 C 24.2489 -7.35661 0.0 0
-M  V30 20 C 4.72882 -2.52503 0.0 0
+M  V30 20 C 24.2654 -9.08684 0.0 0
-M  V30 21 C 6.45641 -0.524992 0.0 0
+M  V30 21 C 24.757 -8.21873 0.0 0
-M  V30 22 C 7.32083 0.973912 0.0 0
+M  V30 22 C 23.2645 -9.09611 0.0 0
-M  V30 23 C 6.45649 0.475722 0.0 0
+M  V30 23 N 23.244 -7.36592 0.0 0
-M  V30 24 C 8.18778 0.473619 0.0 0
+M  V30 24 C 22.7571 -8.23944 0.0 0
-M  V30 25 N 7.32682 -1.02729 0.0 0
+M  V30 25 C 21.7571 -8.25256 0.0 0
-M  V30 26 C 8.1899 -0.522065 0.0 0
+M  V30 26 C 20.271 -9.13871 0.0 0
-M  V30 27 C 9.05795 -1.01854 0.0 0
+M  V30 27 C 21.2685 -9.12588 0.0 0
-M  V30 28 C 10.7882 -1.00987 0.0 0
+M  V30 28 C 19.7586 -8.27885 0.0 0
-M  V30 29 C 9.92236 -0.514338 0.0 0
+M  V30 29 N 21.2427 -7.38926 0.0 0
-M  V30 30 C 10.793 -2.0108 0.0 0
+M  V30 30 C 20.2428 -7.40884 0.0 0
-M  V30 31 N 9.0627 -2.02348 0.0 0
+M  V30 31 C 19.7276 -6.55178 0.0 0
-M  V30 32 C 9.93401 -2.51437 0.0 0
+M  V30 32 C 18.2133 -5.71464 0.0 0
-M  V30 33 C 9.9426 -3.51433 0.0 0
+M  V30 33 C 18.7271 -6.56982 0.0 0
-M  V30 34 C 10.822 -5.0045 0.0 0
+M  V30 34 C 18.6978 -4.83878 0.0 0
-M  V30 35 C 10.8137 -4.0069 0.0 0
+M  V30 35 N 20.2141 -5.67241 0.0 0
-M  V30 36 C 9.95984 -5.51297 0.0 0
+M  V30 36 C 19.6933 -4.81862 0.0 0
-M  V30 37 N 9.07698 -4.02485 0.0 0
+M  V30 37 C 19.7258 -1.29338 0.0 0
-M  V30 38 C 9.09203 -5.02481 0.0 0
+M  V30 38 C 24.7227 -1.2929 0.0 0
-M  V30 39 C 8.23264 -5.53613 0.0 0
+M  V30 39 C 27.2335 -5.60623 0.0 0
-M  V30 40 C 7.38866 -7.04664 0.0 0
+M  V30 40 C 24.773 -9.94843 0.0 0
-M  V30 41 C 8.24615 -6.53675 0.0 0
+M  V30 41 C 19.7826 -10.0113 0.0 0
-M  V30 42 C 6.515 -6.55816 0.0 0
+M  V30 42 C 17.2135 -5.73249 0.0 0
-M  V30 43 N 7.35549 -5.0457 0.0 0
+M  V30 43 Ru 22.1828 -5.65697 0.0 0 CHG=2
-M  V30 44 C 6.49935 -5.5626 0.0 0
+M  V30 44 F 26.642 -3.175 0.0 0
-M  V30 45 C 5.62464 -5.07796 0.0 0
+M  V30 45 P 27.508 -2.675 0.0 0 CHG=-1
-M  V30 46 C 3.89464 -5.11014 0.0 0
+M  V30 46 F 28.374 -3.175 0.0 0
-M  V30 47 C 4.76716 -5.59386 0.0 0
+M  V30 47 F 27.508 -1.675 0.0 0
-M  V30 48 C 3.8763 -4.10937 0.0 0
+M  V30 48 F 28.374 -2.175 0.0 0
-M  V30 49 N 5.60623 -4.07318 0.0 0
+M  V30 49 F 27.508 -3.675 0.0 0
-M  V30 50 C 4.72834 -3.59417 0.0 0
+M  V30 50 F 26.642 -2.175 0.0 0
-M  V30 51 C 2.9939 -0.52495 0.0 0
+M  V30 51 F 26.684 -8.725 0.0 0
-M  V30 52 C 7.32109 1.97391 0.0 0
+M  V30 52 P 27.55 -8.225 0.0 0 CHG=-1
-M  V30 53 C 11.6521 -0.506176 0.0 0
+M  V30 53 F 28.416 -8.725 0.0 0
-M  V30 54 C 11.6924 -5.49686 0.0 0
+M  V30 54 F 27.55 -7.225 0.0 0
-M  V30 55 C 7.40198 -8.04655 0.0 0
+M  V30 55 F 28.416 -7.725 0.0 0
-M  V30 56 C 3.03768 -5.62552 0.0 0
+M  V30 56 F 27.55 -9.225 0.0 0
-M  V30 57 Ru 7.35618 -3.00053 0.0 0 CHG=2
+M  V30 57 F 26.684 -7.725 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 1 1 2
+M  V30 1 2 3 1
-M  V30 2 1 1 3
+M  V30 2 2 4 2
-M  V30 3 1 1 4
+M  V30 3 1 1 5
-M  V30 4 1 1 5
+M  V30 4 1 2 3
-M  V30 5 1 1 6
+M  V30 5 2 5 6
-M  V30 6 1 1 7
+M  V30 6 1 6 4
-M  V30 7 1 8 9
+M  V30 7 1 2 7
-M  V30 8 1 8 10
+M  V30 8 2 9 7
-M  V30 9 1 8 11
+M  V30 9 2 10 8
-M  V30 10 1 8 12
+M  V30 10 1 7 11
-M  V30 11 1 8 13
+M  V30 11 1 8 9
-M  V30 12 1 8 14
+M  V30 12 2 11 12
-M  V30 13 2 17 15
+M  V30 13 1 12 10
-M  V30 14 2 18 16
+M  V30 14 2 15 13
-M  V30 15 1 15 19
+M  V30 15 2 16 14
-M  V30 16 1 16 17
+M  V30 16 1 13 17
-M  V30 17 2 19 20
+M  V30 17 1 14 15
-M  V30 18 1 20 18
+M  V30 18 2 17 18
-M  V30 19 1 16 21
+M  V30 19 1 18 16
-M  V30 20 2 23 21
+M  V30 20 1 18 19
-M  V30 21 2 24 22
+M  V30 21 2 21 19
-M  V30 22 1 21 25
+M  V30 22 2 22 20
-M  V30 23 1 22 23
+M  V30 23 1 19 23
-M  V30 24 2 25 26
+M  V30 24 1 20 21
-M  V30 25 1 26 24
+M  V30 25 2 23 24
-M  V30 26 2 29 27
+M  V30 26 1 24 22
-M  V30 27 2 30 28
+M  V30 27 2 27 25
-M  V30 28 1 27 31
+M  V30 28 2 28 26
-M  V30 29 1 28 29
+M  V30 29 1 25 29
-M  V30 30 2 31 32
+M  V30 30 1 26 27
-M  V30 31 1 32 30
+M  V30 31 2 29 30
-M  V30 32 1 32 33
+M  V30 32 1 30 28
-M  V30 33 2 35 33
+M  V30 33 1 30 31
-M  V30 34 2 36 34
+M  V30 34 2 33 31
-M  V30 35 1 33 37
+M  V30 35 2 34 32
-M  V30 36 1 34 35
+M  V30 36 1 31 35
-M  V30 37 2 37 38
+M  V30 37 1 32 33
-M  V30 38 1 38 36
+M  V30 38 2 35 36
-M  V30 39 2 41 39
+M  V30 39 1 36 34
-M  V30 40 2 42 40
+M  V30 40 1 1 37
-M  V30 41 1 39 43
+M  V30 41 1 8 38
-M  V30 42 1 40 41
+M  V30 42 1 14 39
-M  V30 43 2 43 44
+M  V30 43 1 20 40
-M  V30 44 1 44 42
+M  V30 44 1 26 41
-M  V30 45 1 44 45
+M  V30 45 1 32 42
-M  V30 46 2 47 45
+M  V30 46 10 4 43
-M  V30 47 2 48 46
+M  V30 47 10 43 11
-M  V30 48 1 45 49
+M  V30 48 10 17 43
-M  V30 49 1 46 47
+M  V30 49 10 43 23
-M  V30 50 2 49 50
+M  V30 50 10 29 43
-M  V30 51 1 50 48
+M  V30 51 10 43 35
-M  V30 52 1 15 51
+M  V30 52 1 44 45
-M  V30 53 1 22 52
+M  V30 53 1 45 46
-M  V30 54 1 28 53
+M  V30 54 1 45 47
-M  V30 55 1 34 54
+M  V30 55 1 45 48
-M  V30 56 1 40 55
+M  V30 56 1 45 49
-M  V30 57 1 46 56
+M  V30 57 1 45 50
-M  V30 58 10 18 57
+M  V30 58 1 51 52
-M  V30 59 10 57 25
+M  V30 59 1 52 53
-M  V30 60 10 31 57
+M  V30 60 1 52 54
-M  V30 61 10 57 37
+M  V30 61 1 52 55
-M  V30 62 10 43 57
+M  V30 62 1 52 56
-M  V30 63 10 57 49
+M  V30 63 1 52 57
 M  V30 END BOND
 M  V30 END CTAB
 M  END
+|smiles=C(C)1C=CN2[Ru+2]3(N4=CC=C(C)C=C4C4C=C(C)C=CN=43)3(N4=CC=C(C)C=C4C4C=C(C)C=CN=43)N3=CC=C(C)C=C3C=2C=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
-|smiles=[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.C(C)1C=CN2[Ru+2]3(N4=CC=C(C)C=C4C4C=C(C)C=CN=43)3(N4=CC=C(C)C=C4C4C=C(C)C=CN=43)N3=CC=C(C)C=C3C=2C=1
 |inchi=1S/3C12H12N2.2F6P.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2
 |inchikey=YTWDDICTMKIOIQ-UHFFFAOYSA-N
-|width=300px
+|width=200
-|height=200px
+|height=200
 |float=none
-|logP=
-|cas=
-|parent=
 }}

Molecule:100659: Difference between revisions

Latest revision as of 14:13, 6 September 2024

Molecule is used on following pages

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