LATTICE-DYNAMICS OF HALOGENATED ANTHRACENE-DERIVATIVES UNDER PRESSURE

Citation
Rg. Dellavalle et A. Brillante, LATTICE-DYNAMICS OF HALOGENATED ANTHRACENE-DERIVATIVES UNDER PRESSURE, The Journal of chemical physics, 100(10), 1994, pp. 7640-7647
Citations number
37
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
0021-9606
Volume
100
Issue
10
Year of publication
1994
Pages
7640 - 7647
Database
ISI
SICI code
0021-9606(1994)100:10<7640:LOHAUP>2.0.ZU;2-H
Abstract
Lattice dynamics calculations have been performed for beta-9,10-dichlo roanthracene 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 depende nce of the structures and frequencies has been calculated. A pressure induced phase transition which resembles the experimental transition i s predicted for the chloro derivative at approximate to 3 GPa.