Coupling between intramolecular and lattice vibrations in solid para-diiodobenzene

被引：6
|
作者：
Della Valle, RG [1 ]
Brillante, A [1 ]
Venuti, E [1 ]
Palazzi, L [1 ]
机构：
[1] Univ Bologna, Dipartimento Chim Fis & Inorgan, I-40136 Bologna, Italy
来源：
CHEMICAL PHYSICS LETTERS | 2000年 / 325卷 / 5-6期
关键词：
D O I：
10.1016/S0009-2614(00)00743-0
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：
Optical spectra, phonon density of states and constant volume specific heat of the alpha-phase of para-diiodobenzene are computed by the harmonic lattice dynamics method. The results provide a detailed assignment of the spectra. The role of intramolecular vibrations is found to be essential to reach agreement with the experimental data. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：599 / 604
页数：6
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