Experimental and theoretical study of the far-infrared spectra of HCl dissolved in liquid Ar, Kr, and Xe

Citation
Wa. Herrebout et al., Experimental and theoretical study of the far-infrared spectra of HCl dissolved in liquid Ar, Kr, and Xe, MOLEC PHYS, 96(7), 1999, pp. 1115-1124
Citations number
48
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR PHYSICS
ISSN journal
00268976 → ACNP
Volume
96
Issue
7
Year of publication
1999
Pages
1115 - 1124
Database
ISI
SICI code
0026-8976(19990410)96:7<1115:EATSOT>2.0.ZU;2-F
Abstract
New experimental results are reported on the relative absorption intensity distribution in the FIR spectra of HCl dissolved in liquefied Ar, Kr, and X e at several temperatures along the liquid-vapour coexistence curve. These are treated further by applying a previously developed quantum-statistical spectral theory, which accounts for the line mixing and memory effects. The oretical spectra are given in terms of the anisotropic potential time autoc orrelation functions obtained from classical MD simulations using several e mpirical analytical potentials with density-adjusted well depths. Globally fair agreement between the theoretical and experimental spectra is demonstr ated, except in the high frequency wings, where the theory underestimates t he observed intensities. The choice of a particular radial form for the ani sotropic HCl/RG potentials is found to be not critical for reproducing the experimental absorption profiles.