LATTICE-DYNAMICS OF HALOGENATED ANTHRACENE-DERIVATIVES UNDER PRESSURE

被引：14

作者：

DELLAVALLE, RG ^{[1
]}

BRILLANTE, A ^{[1
]}

机构：

[1] UNIV VENICE,DIPARTIMENTO CHIM FIS,I-30123 VENICE,ITALY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 100卷 / 10期

关键词：

D O I：

10.1063/1.466856

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：

Lattice dynamics calculations have been performed for beta-9,10-dichloroanthracene and 9,10-dibromoanthracene under pressure. The potential has been fitted to the ambient pressure crystallographic structure and to lattice phonon frequencies of both compounds. The pressure dependence of the structures and frequencies has been calculated. A pressure induced phase transition which resembles the experimental transition is predicted for the chloro derivative at approximate to 3 GPa.

引用

页码：7640 / 7647

页数：8

共 37 条

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