Infrared and Raman spectra and ab initio calculations for normal and deuterated trifluoromethanesulfonamide

Trifluoromethanesulfonamide, CF 3SO 2NH 2, was studied as a polycrystalline substance in its normal and deuterated forms using infrared and Raman techniques in the range 4000–50 cm −1. Ab initio calculations allowed the determination of the geometrical parameters of the molecule, and of the correspo...

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Bibliographic Details
Published in:Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 1997, Vol.53 (2), p.189-197
Main Authors: Fernández, L.E., Ben Altabef, A., Fantoni, A.C., Varetti, E.L.
Format: Article
Language:English
Subjects:
Ab initio calculations
CF 3SO 2NH 2
Infrared spectrum
Raman spectrum
Trifluoromethanesulfonamide
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Summary:Trifluoromethanesulfonamide, CF 3SO 2NH 2, was studied as a polycrystalline substance in its normal and deuterated forms using infrared and Raman techniques in the range 4000–50 cm −1. Ab initio calculations allowed the determination of the geometrical parameters of the molecule, and of the corresponding force field and normal modes of vibration. Such theoretical results served as a basis for an assignment of the spectral features.
ISSN:1386-1425
DOI:10.1016/S1386-1425(97)83025-9