Journal of Chemical Physics, Vol.110, No.12, 5821-5830, 1999
The "ionic" to "molecular" transitions in AlCl3 and FeCl3 as predicted by an ionic interaction model
A polarizable ionic interaction model for AlCl3 and FeCl3, 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 AlCl3 and FeCl3. This indicates that the "covalent'' interactions responsible for the remarkable, quasi-molecular nature of these two liquids are contained within the ionic model.