CEQUINOR   05415
CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Unidad Ejecutora - UE
artículos
Título:
An experimental and theoretical study of the vibrational properties of CF3SO2Cl
Autor/es:
L. E. FERNÁNDEZ; E. L. VARETTI
Revista:
Journal of the Argentine Chemical Society
Referencias:
Año: 2009 vol. 97 p. 199 - 199
ISSN:
0365-0375
Resumen:
The infrared and Raman spectra of CF3SO2Cl were obtained and analyzed. An assignmentof the observed bands is proposed, based in a comparison with similar molecules and with atheoretical calculation of frequencies and normal modes of vibration made by means of densityfunctional theory (DFT) techniques. The original force field in Cartesian coordinates wastransformed to local symmetry coordinates and subsequently scaled to reproduce the experimental frequencies.