Coupling between intramolecular and lattice vibrations in solid para-diiodobenzene

Authors
Della Valle, RG Brillante, A Venuti, E Palazzi, L
Citation
Rg. Della Valle et al., Coupling between intramolecular and lattice vibrations in solid para-diiodobenzene, CHEM P LETT, 325(5-6), 2000, pp. 599-604
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
325
Issue
5-6
Year of publication
2000
Pages
599 - 604
Database
ISI
SICI code
0009-2614(20000804)325:5-6<599:CBIALV>2.0.ZU;2-X
Abstract
Optical spectra, phonon density of states and constant volume specific heat of the alpha-phase of para-diiodobenzene are computed by the harmonic latt ice dynamics method. The results provide a detailed assignment of the spect ra. The role of intramolecular vibrations is found to be essential to reach agreement with the experimental data. (C) 2000 Elsevier Science B.V. All r ights reserved.