Ab initio and DFT studies on vibrational spectra of some mixed carbonyl-halide complexes of ruthenium(II)

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 61, Issue 4, 2005, Pages 697-706

  Zhang, Yu ^a   Zhao, Jianying ^a   Tang, Guodong ^a   Zhu, Longgen ^b  

^a HUAIYIN NORMAL UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

Mixed carbonyl halide complexes of Ru(II); Theoretical calculation; Vibrational frequencies

Indexed keywords

CARBON MONOXIDES; VIBRATIONAL FREQUENCIES; VIBRATIONAL SPECTRA;

CHEMICAL BONDS; CRYSTALS; ELECTRONIC STRUCTURE; INFRARED RADIATION; PROBABILITY DENSITY FUNCTION; TRANSITION METALS;

RUTHENIUM;

CARBON; OXYGEN; RUTHENIUM;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; RAMAN SPECTROMETRY; SPECTROPHOTOMETRY; THEORETICAL MODEL;

CARBON; HYDROGEN BONDING; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; OXYGEN; RUTHENIUM; SPECTROPHOTOMETRY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 11344270696     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2004.04.025     Document Type: Article

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