VIBRATIONAL-SPECTRA, THERMODYNAMIC FUNCTIONS AND BARRIERS TO INTERNAL-ROTATION FOR ISOMERIC TRIFLUOROMETHYLBENZOYL CHLORIDES

被引：25
|
作者：
SHANKER, R
YADAV, RA
SINGH, IS
SINGH, ON
机构：
[1] BANARAS HINDU UNIV,DEPT PHYS,VARANASI 221005,UTTAR PRADESH,INDIA
[2] BANARAS HINDU UNIV,DEPT APPL PHYS,VARANASI 221005,UTTAR PRADESH,INDIA
来源：
JOURNAL OF RAMAN SPECTROSCOPY | 1992年 / 23卷 / 03期
关键词：
D O I：
10.1002/jrs.1250230304
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
The polarized Raman spectra (50-4000 cm-1) and IR spectra (180-4000 cm-1) of o-, m- and p-trifluoromethylbenzoyl chlorides were recorded and all the 45 (30a' + 15a") normal modes of vibration were assigned assuming C(s) symmetry. Consistent assignments for the internal modes of the COCl and CF3 groups are proposed. Thermodynamic functions were computed and barriers to internal rotations for the COCl and CF3 tops were determined, using the assigned vibrational frequencies and assumed structural parameters for the three isomers.
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页码：141 / 146
页数：6
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