CAS 141460-19-7 cis-Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium (II)

Synonyms

141460-19-7;cis-Dithiocyanatobis(N,N'-2,2'-bipyridyl-4,4'-dicarboxylic acid)ruthenium;cis-bis(isothiocyanato)bis(2,2-bipyridyl-4,4-dicarboxylato)-ruthenium(ii);N-3 dye;SCHEMBL789419;460D197;cis-bis(isothiocyanate)bis(2,2'-bipyridyl-4,4'-dicarboxylate)-ruthenium(II);cis-Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II), 95% (NMR);cis-Bis(isothiocyanato)bis(2,2 inverted exclamation marka-bipyridyl-4,4 inverted exclamation marka-dicarboxylato)ruthenium(II);

IUPAC Name

2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate;

Molecular Weight

705.638g/mol

Molecular Formula

C26H16N6O8RuS2;

Canonical SMILES

C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.C(=[N-])=S.C(=[N-])=S.[Ru+2];

InChI

InChI=1S/2C12H8N2O4.2CNS.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h2*1-6H,(H,15,16)(H,17,18);;;/q;;2*-1;+2;

InChI Key

VMISXESAJBVFNH-UHFFFAOYSA-N;

Complexity

374

Covalently-Bonded Unit Count

Exact Mass

705.951g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

705.951g/mol

Rotatable Bond Count

Topological Polar Surface Area

267A^2

Application

Cis-Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II), commonly known as N3 Dye, serves as a pioneering ruthenium complex dye specifically designed for high-efficiency dye-sensitized solar cells (DSSC). Since its development, it has established itself as a key example of a heterogeneous charge-transfer sensitizer used in mesoporous solar cells. This ruthenium polypyridyl-based complex is highly stable and functions as an effective sensitizer, although it's important to note that the photocurrent can diminish with higher concentrations of N3 dye.

March 17, 2025

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