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
相关论文
共 50 条
  • [1] ASPECTS OF THE POLYMORPHIC PHASE-TRANSFORMATION IN PARA-DIIODOBENZENE
    SOLTZBERG, LJ
    ARMSTRONG, EC
    KELLY, PA
    MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1979, 50 (1-4): : 179 - 181
  • [2] PHONON STRUCTURE, TRIPLET EXCITON SPLITTING AND PREDISSOCIATION OF PARA-DIIODOBENZENE
    BURLAND, DM
    CHEMICAL PHYSICS LETTERS, 1975, 36 (02) : 247 - 251
  • [3] Diffusion Monte Carlo Study of Para-Diiodobenzene Polymorphism Revisited
    Hongo, Kenta
    Watson, Mark A.
    Iitaka, Toshiaki
    Aspuru-Guzik, Alan
    Maezono, Ryo
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 11 (03) : 907 - 917
  • [4] FAR INFRARED SINGLE-CRYSTAL STUDY OF PARA-DIIODOBENZENE
    CLAYMAN, BP
    FARNWORTH, B
    WARD, RW
    JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (11): : 4930 - 4932
  • [5] COUPLING BETWEEN INTERMOLECULAR AND INTRAMOLECULAR VIBRATIONS IN A CRYSTAL
    PORFIREVA, NN
    SOVIET PHYSICS JETP-USSR, 1958, 6 (01): : 35 - 39
  • [6] On the ability of periodic dispersion-corrected DFT calculations to predict molecular crystal polymorphism in para-diiodobenzene
    Pedone, Alfonso
    Presti, Davide
    Menziani, Maria Cristina
    CHEMICAL PHYSICS LETTERS, 2012, 541 : 12 - 15
  • [7] A relation between lattice parameters and lattice vibrations of solid solutions
    Xu, KC
    Chen, Y
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1998, 67 (12) : 4128 - 4130
  • [8] LATTICE VIBRATIONS OF SOLID CYANOGEN
    RICHARDO.PM
    NIXON, ER
    JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (10): : 4276 - +
  • [9] LATTICE VIBRATIONS IN SOLID DEUTERIUM
    NIELSEN, M
    MOLLER, HB
    MEYER, L
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1970, 15 (03): : 383 - &
  • [10] Coupling between lattice vibrations and magnetism in Ising-like systems
    Triguero, C
    Porta, M
    Planes, A
    PHYSICAL REVIEW B, 2006, 73 (05)
12345