Intermolecular potentials and lattice dynamics of Cl2and Br2crystals
作者:
GerardG. Dumas,
Françoise Vovelle,
Jean-Pierre Viennot,
期刊:
Molecular Physics
(Taylor Available online 1974)
卷期:
Volume 28,
issue 5
页码: 1345-1357
ISSN:0026-8976
年代: 1974
DOI:10.1080/00268977400102631
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The Raman spectra of chlorine and bromine crystals have been observed at low temperature. Calculations of external frequencies show that the atom-atom interaction is inadequate to explain the spectra of halogen crystals. A charge-transfer term was included in the intermolecular potential to take account of a specific interaction, and the external frequencies calculated with this modified potential agree well with the spectroscopic data. The effect of temperature on lattice frequencies has been estimated, showing disagreement between experimental and theoretical values at high temperature. This disagreement is explained as an anharmonic effect. Dispersion curves of external and internal modes of vibration using the modified potential are also included.
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