Vibrational spectra and normal coordinate analysis of fluorouracil

被引：0
|
作者：
Gunasekaran, S [1 ]
Ponnambalam, U
Muthu, S
Kumaresan, S
机构：
[1] Pachaiyappas Coll, PG & Res Dept Phys, Madras 600030, Tamil Nadu, India
[2] Presidency Coll, PG Dept Phys, Madras 600005, Tamil Nadu, India
[3] AMA Coll Engn, Dept Phys, Vadamavandal 604410, India
来源：
INDIAN JOURNAL OF PHYSICS | 2004年 / 78卷 / 10期
关键词：
normal coordinate analysis; FTIR and FT Raman spectra; fluorouracil;
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
A normal coordinate analysis on fluorouracil has been carried out with a set of symmetry coordinates following Wilson's F-G matrix method. The potential constants evaluated for the molecule is found to be in good agreement with literature values thereby confirming the vibrational assignments. To check whether the chosen set of vibrational frequencies contribute maximum to the potential energy associated with the normal coordinates of the molecule, the potential energy distribution has been evaluated.
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页码：1141 / 1145
页数：5
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