STRUCTURE AND VIBRATIONAL-SPECTRA OF CHLOROFLUOROCARBON SUBSTITUTES -AN EXPERIMENTAL AND AB-INITIO STUDY OF FLUORINATED ETHERS CHF2OCF3 (E125), CHF2OCHF2 (E134), AND CH3OCF3 (E143A)

Citation
Da. Good et Js. Francisco, STRUCTURE AND VIBRATIONAL-SPECTRA OF CHLOROFLUOROCARBON SUBSTITUTES -AN EXPERIMENTAL AND AB-INITIO STUDY OF FLUORINATED ETHERS CHF2OCF3 (E125), CHF2OCHF2 (E134), AND CH3OCF3 (E143A), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(10), 1998, pp. 1854-1864
Citations number
14
Categorie Soggetti
Chemistry Physical
ISSN journal
10895639
Volume
102
Issue
10
Year of publication
1998
Pages
1854 - 1864
Database
ISI
SICI code
1089-5639(1998)102:10<1854:SAVOCS>2.0.ZU;2-8
Abstract
The fundamental IR vibrational modes of CHF2OCF3 (E125), CHF2OCHF2 (E1 34), and CH3OCF3 (E143a) have been examined by ab initio molecular orb ital calculations and have been compared with FT-IR measurements. A co mplete assignment of all fundamental vibrational modes has been made f or each fluorinated ether. As a calibration for the fluorinated ethers , the fundamental IR vibrational modes of dimethyl ether have been ree xamined by ab initio methods and have been compared with literature as signments.