MODELING VIBRATIONAL MODES IN DIACETYLENE POLYMERS

被引:73
作者
LEWIS, WF
BATCHELDER, DN
机构
[1] Department of Physics, Queen Mary College, London
关键词
D O I
10.1016/0009-2614(79)80022-6
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
High-frequency vibrational modes in polydiacetylene polymers have been simulated using a simple point-mass and harmonic- force-constant model. Excellent agreement has been found between the frequencies of these modes and those observed in resonant Raman scattering from crystals of polydiacetylene polymers with four radically different sidegroups. The atomic displacement vectors for each mode have also been calculated and related to backbone-sidegroup interactions on the polymer chain. © 1979.
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页码:232 / 237
页数:6
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