Structure and conformational analysis of CFC-113 by density functional theory calculations and FTIR spectroscopy

Journal of Molecular Spectroscopy

Volumn 243, Issue 2, 2007, Pages 142-147

  Le Bris, Karine ^a   Strong, Kimberly ^a   Melo, Stella M L ^a   Ng, Jason C ^a  

^a UNIVERSITY OF TORONTO   (Canada)

Author keywords

1,1,2 Trichlorotrifluoroethane; 31.15.Ew; 33.15.Dj; 33.20. t; 33.20.Ea; 33.20.Tp; CFC 113; Combination bands; Comformation; Density functional theory; Fourier transform infrared spectroscopy; Freon 113; Geometry parameters; Harmonic frequency; Potential barrier; Vibrational spectra

Indexed keywords

COMBINATION BANDS; COMFORMATIONS; GEOMETRY PARAMETERS; HARMONIC FREQUENCIES; POTENTIAL BARRIERS; TRICHLOROTRIFLUOROETHANE;

DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HARMONIC ANALYSIS; INFRARED RADIATION; MOLECULAR STRUCTURE; VIBRATIONAL SPECTRA;

FREONS;

EID: 34447626265     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2007.02.003     Document Type: Article

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