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
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.