The charge transfer band solvent-dependence of [Ru(bpy)2(CN x)Cl]+, CNx=2,6-dimethylphenylisocyanide: A polarizable continuum model/time-dependent density functional theory study

Inorganic Chemistry Communications

Volumn 7, Issue 7, 2004, Pages 838-841

  Stoyanov, Stanislav R ^a   Villegas, John M ^a   Paul Rillema, D ^a  

^a WICHITA STATE UNIVERSITY   (United States)

Author keywords

Conductor like polarizable continuum model; Density functional theory; Isocyanide complex; Ruthenium (II) heterocycle; Solvatochromism; Time dependent density functional theory

Indexed keywords

2,6 DIMETHYLPHENYLISOCYANIDE; CYANIDE; RUTHENIUM COMPLEX; SOLVENT; UNCLASSIFIED DRUG;

ABSORPTION SPECTROSCOPY; ARTICLE; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; EXPERIMENT; MODEL; POLARIZATION; SIMULATION; SURFACE CHARGE; TIME;

EID: 3242717904     PISSN: 13877003     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.inoche.2004.05.003     Document Type: Article

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