The 'ionic' to 'molecular' transitions in AlCl_3 and FeCl_3 as predicted by an ionic interaction model

摘要

A polarizable ionic interaction model for AlCl_3 and FeCl_3, constructed from potentials similar to those used for a variety of ionic halides by simply scaling the cation radius, is found to give a semi-quantitative account of the structural and dynamical properties of the liquid and solid phases of AlCl_3 and FeCl_3. This indicates that the "covalent" interactions responsible for the remarkable, quasi-molecular nature of these two liquids are contained within the ionic model.