Absorption spectrum and solvatochromism of the [Ru(4,4′-COOH-2,2′-bpy)2(NCS)2] molecular dye by time dependent density functional theory

Journal of the American Chemical Society

Volumn 125, Issue 14, 2003, Pages 4381-4387

  Fantacci, Simona ^a,b   De Angelis, Filippo ^a,b   Selloni, Annabella ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COMPOSITION; ELECTRON ENERGY LEVELS; LIGHT ABSORPTION; MOLECULAR STRUCTURE; NANOSTRUCTURED MATERIALS; ORGANIC SOLVENTS; PROBABILITY DENSITY FUNCTION; SOLAR CELLS; SPECTRUM ANALYSIS;

LIGANDS;

ORGANOMETALLICS;

ALCOHOL; DYE; RUTHENIUM DERIVATIVE; SOLVENT; TITANIUM DIOXIDE; WATER;

ABSORPTION SPECTROSCOPY; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DIPOLE; ELECTRON; ENERGY; MODEL; THEORY;

EID: 84962418053     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0207910     Document Type: Article

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