화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.102, No.10, 1854-1864, 1998
Structure and vibrational spectra of chlorofluorocarbon substitutes : An experimental and ab initio study of fluorinated ethers CHF2OCF3 (E125), CHF2OCHF2 (E134), and CH3OCF3 (E143A)
The fundamental IR vibrational modes of CHF2OCF3 (E125), CHF2OCHF2 (E134), and CH3OCF3 (E143a) have been examined by ab initio molecular orbital calculations and have been compared with FT-IR measurements. A complete assignment of all fundamental vibrational modes has been made for each fluorinated ether. As a calibration for the fluorinated ethers, the fundamental IR vibrational modes of dimethyl ether have been reexamined by ab initio methods and have been compared with literature assignments.