THEORETICAL-ANALYSIS OF THE FAR-INFRARED SPECTRA OF HCL IN LIQUID AR ALONG THE AR LIQUID-VAPOR COEXISTENCE LINE

Citation
A. Medina et al., THEORETICAL-ANALYSIS OF THE FAR-INFRARED SPECTRA OF HCL IN LIQUID AR ALONG THE AR LIQUID-VAPOR COEXISTENCE LINE, Journal of molecular liquids, 63(3), 1995, pp. 251-264
Citations number
37
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
01677322
Volume
63
Issue
3
Year of publication
1995
Pages
251 - 264
Database
ISI
SICI code
0167-7322(1995)63:3<251:TOTFSO>2.0.ZU;2-4
Abstract
We present the theoretical evolution of the far-infrared spectra of HC l in liquid Ar along the Ar liquid-vapour. coexistence line obtained f rom a quantum spectral theory incorporating memory and line mixing eff ects. The involved time autocorrelation functions associated to the fi rst order anisotropic interaction are calculated by means of classical molecular dynamics techniques. The radial form of the HCl-Ar anisotro pic potential is considered as effective in nature with a density-depe ndent well depth. Numerical results for six Ar thermodynamic states sh ow that the calculated spectra change from those showing a weak, resid ual rotational structure at high densities and low temperatures to tho se showing clear, resolved rotational lines as temperature increases a nd density decreases.