SOLUTE-SOLVENT INTERACTION IN LIQUIDS
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Date
1974
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Publisher
Ohio State University
Abstract
The model of solute-solvent interaction based on dipole-induced-dipole forces Kirkwood-Bauer-Maget) has been generalized yielding an expression for the energy as a function of solute position and orientation within a spherical cavity in a dielectric medium. An analogous relation has been derived for the dispersion energy. Barriers to rotation of the solute molecule and shifts in its vibrational frequency are calculated as functions of cavity radius and eccentricity for the case of dilute solutions of HCl in $CCl_{4}$. It is found that the effect of dispersion forces on the vibrational frequency of HCl is two-to-three times more important than the traditional dipole-induced-dipole contribution.
Description
Author Institution: D\'{e}partment de Chimie, Universit\'{e} de Montr\'{e}al McGill University