The "ionic" to "molecular" transitions in AlCl3 and FeCl3 as predicted by an ionic interaction model

Authors
Hutchinson, F Walters, MK Rowley, AJ Madden, PA
Citation
F. Hutchinson et al., The "ionic" to "molecular" transitions in AlCl3 and FeCl3 as predicted by an ionic interaction model, J CHEM PHYS, 110(12), 1999, pp. 5821-5830
Citations number
42
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
110
Issue
12
Year of publication
1999
Pages
5821 - 5830
Database
ISI
SICI code
0021-9606(19990322)110:12<5821:T"T"TI>2.0.ZU;2-V
Abstract
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 A lCl3 and FeCl3. This indicates that the "covalent'' interactions responsibl e for the remarkable, quasi-molecular nature of these two liquids are conta ined within the ionic model. (C) 1999 American Institute of Physics. [S0021 -9606(99)50912-4].