Molecular geometries, vibrational analysis, bonding and molecular orbitals of the three isomers of [RuCl(qn)2NO] (Hqn = 2-methyl-8-quinolinol or 2-chloro-8-quinolinol): Density functional theory studies

Inorganica Chimica Acta

Volumn 340, Issue , 2002, Pages 119-126

  Wang, Hongfei ^a   Miki, Eiichi ^a   Re, Suyong ^a   Tokiwa, Hiroaki ^a  

^a RIKKYO UNIVERSITY   (Japan)

Author keywords

Density functional theory study; Nitrosyl complexes; Ruthenium complexes

Indexed keywords

CHEMICAL BONDS; CHLORINE COMPOUNDS; ELECTRONIC STRUCTURE; ISOMERS; MOLECULAR ORBITALS; RUTHENIUM COMPOUNDS; SYNTHESIS (CHEMICAL); VIBRATION ANALYSIS;

BONDING CHARACTERISTICS; DENSITY FUNCTIONAL THEORY STUDIES; MOLECULAR GEOMETRIES; NITROSYL COMPLEX; RESTRICTED HARTREE-FOCK; RUTHENIUM COMPLEXES; THEORETICAL CALCULATIONS; VIBRATIONAL ANALYSIS;

DENSITY FUNCTIONAL THEORY;

LIGAND; QUINOLINOL DERIVATIVE; RUTHENIUM COMPLEX;

ARTICLE; CALCULATION; CHEMICAL BINDING; CHEMICAL STRUCTURE; CIS TRANS ISOMERISM; GEOMETRY; ISOMER; MOLECULAR DYNAMICS; SYNTHESIS; THEORY; VIBRATION;

EID: 0037175551     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0020-1693(02)01093-9     Document Type: Article

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