Neutron and Raman Scattering Studies of the Lattice and Methyl-Group Dynamics in Solidp-Xylene
作者:
J. Kalus,
M. Monkenbusch,
I. Natkaniec,
M. Prager,
J. Wolfrum,
F. Wörlen,
期刊:
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals
(Taylor Available online 1995)
卷期:
Volume 268,
issue 1
页码: 1-20
ISSN:1058-725X
年代: 1995
DOI:10.1080/10587259508030989
出版商: Taylor & Francis Group
关键词: Lattice dynamics;molecular crystals
数据来源: Taylor
摘要:
Solidp-C6H4(CH3)2andp-C6H4(CD3)2have been studied over a temperature range from 10 K up to the melting point of ∼ 287 K by Raman- and Incoherent Inelastic Neutron-Scattering(IINS). The methyl torsion frequencies deduced from the Raman- and IINS-spectra are different because of the strong coupling of these modes with phonons and their dispersion in the Brillouin zone. A decrease in frequencies and a strong broadening, especially of the high frequency phonons where methyl torsions are predominant, have been observed in Raman- and IINS-spectra with increasing temperature. A lattice dynamics model based on the atom-atom potential set IVa of parameters given by Williams can, after some small modifications, satisfactorily explain the dynamics of ap-xylene crystal. Modified potential parameters better reproduce the experimental data and allow one to study the coupling of the internal methyl rotation with the lattice modes in more detail.
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