TRANSFERABLE VALENCE FORCE-FIELDS FOR SUBSTITUTED BENZENES .4. DINITROBENZENES

被引：8
|
作者：
SURYANARAYANA, V
RAO, GR
机构：
[1] Department of Physics, University College, Kakatiya University, Warangal, 506009, Vidyaranyapuri
来源：
VIBRATIONAL SPECTROSCOPY | 1995年 / 8卷 / 03期
关键词：
DINITROBENZENES; INFRARED SPECTROMETRY; NORMAL COORDINATE ANALYSIS; RAMAN SPECTROMETRY; VALENCE FORCE FIELDS;
D O I：
10.1016/0924-2031(94)00060-T
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
A zero-order normal. coordinate analysis of both the in-plane and out-of-plane vibrations was made for p-, m- and o-dinitrobenzenes, 1-fluoro-, 1-chloro- and 1-bromo-2,4-dinitrobenzenes, transferring the force constants from our earlier work. The observed and calculated frequencies agree with an average error of 15.6 cm(-1), demonstrating the transferability of the force constants obtained previously. On the basis of calculated potential energy distributions and eigenvectors, several assignments suggested by earlier workers have been revised.
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页码：343 / 356
页数：14
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