Authors
Citation
Le. Fernandez et al., AN EXPERIMENTAL AND QUANTUM-CHEMICAL VIBRATIONAL STUDY OF NORMAL AND DEUTERATED 1,1,1-TRICHLORODIMETHYL SULFIDE, Journal of molecular structure, 444(1-3), 1998, pp. 227-234
Citations number
15
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00222860
Volume
444
Issue
1-3
Year of publication
1998
Pages
227 - 234
Database
ISI
SICI code
0022-2860(1998)444:1-3<227:AEAQVS>2.0.ZU;2-M
Abstract
1,1,1-trichlorodimethyl sulfide, CCl3SCH3, was studied as a liquid in
its normal and deuterated forms using infrared and Raman techniques in
the range 4000-50 cm(-1). Optimized geometric parameters were obtaine
d by means of Hartree-Fock and density functional methods, which serve
d also to calculate the corresponding force field and normal modes of
vibration. These theoretical results were used in the interpretation o
f the experimental measurements. (C) 1998 Elsevier Science B.V.