A scaled quantum mechanical force field for the sulfuryl halides. I. The symmetric halides SO2X2 (X = F, Cl, Br)

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 1-2, 2004, Pages 405-411

  Fernandez L E ^a   Veron M G ^a   Varetti, E L ^b  

^a UNIVERSIDAD NACIONAL DE TUCUMÁN   (Argentina)

^b UNIVERSIDAD NACIONAL DE LA PLATA   (Argentina)

Author keywords

DFT calculations; Force constants; Infrared; Raman; Sulfuryl halides

Indexed keywords

CHEMICAL BONDS; ELECTRON DIFFRACTION; HALOGEN COMPOUNDS; INFRARED SPECTROGRAPHS; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RAMAN SPECTROSCOPY;

FORCE CONSTANTS; POTENTIAL ENERGY DISTRIBUTION (PED); VIBRATIONAL WAVENUMBERS;

SULFUR COMPOUNDS;

CHLORIDE; SULFINIC ACID DERIVATIVE; SULFONYL CHLORIDE; SULFUR;

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

CHLORIDES; MODELS, MOLECULAR; MODELS, THEORETICAL; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; SULFINIC ACIDS; SULFUR;

EID: 4344685550     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(03)00239-7     Document Type: Article

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