VIBRATIONAL-SPECTRA AND NORMAL COORDINATE ANALYSIS OF SOME DIETHYL TERTIARY AMIDES

被引:6
作者
SUDARSHAN, R [1 ]
RAO, GR [1 ]
CHALAPATHI, VV [1 ]
机构
[1] KAKATIYA UNIV COLL,DEPT PHYS,WARANGAL 506009,ANDHRA PRADESH,INDIA
关键词
D O I
10.1002/jrs.1250210705
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
The Raman and infrared spectra of N,N‐diethylformamide, N,N‐diethylacetamide, N,N‐diethylchloroacetamide and N,N‐diethylpropionamide were measured. Raman polarization measurements were also made. A normal coordinate analysis was carried out for N,N‐diethylformamide, N,N‐diethylacetamide and N,N‐diethylchloroacetamide using a 63‐parameter modified valence force field. The force constants were refined in an overlay least‐squares technique using vibrational frequencies of the molecules to obtain a converged set of meaningful force constants. The reliability of the force constants so obtained was tested by making a zero‐order calculation for N,N‐diethylpropionamide. The potential energy distributions and eigenvectors calculated in the process were used to make unambiguous vibrational assignments. Copyright © 1990 John Wiley & Sons, Ltd.
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页码:407 / 415
页数:9
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