Trends in the frequencies of v(AsOxHx-1) [x = 2-4] in selected As(V)-containing compounds investigated using quantum chemical calculations

Canadian Journal of Chemistry

Volumn 88, Issue 1, 2010, Pages 65-77

  Adamescu, Adrian ^a   Gray, Holly ^a   Stewart, Katherine M E ^a,b   Hamilton, I P ^a   Al Abadleh, Hind A ^a  

^a WILFRID LAURIER UNIVERSITY   (Canada)

^b UNIVERSITY OF WATERLOO   (Canada)

Author keywords

Arsenate; AsO stretching vibration; Computational chemistry; DFT B3LYP; Infrared frequencies; Optimized geometries; Organic oxyanions; Organoarsenicals

Indexed keywords

INFRARED FREQUENCIES; OPTIMIZED GEOMETRIES; ORGANOARSENICALS; OXYANIONS; STRETCHING VIBRATIONS;

ARSENIC; ATOMS; BOND LENGTH; CHEMICAL COMPOUNDS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; DEPROTONATION; ELECTROMAGNETIC WAVE ABSORPTION; GAS ABSORPTION; GAS HYDRATES; GEOMETRY; INFRARED SPECTROSCOPY; MOLECULES; OXYGEN; QUANTUM CHEMISTRY; RESONANCE; STRETCHING;

COMPUTATIONAL CHEMISTRY;

EID: 74549172242     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/V09-147     Document Type: Article

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