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