• Media type: E-Article
  • Title: The “ionic” to “molecular” transitions in AlCl3 and FeCl3 as predicted by an ionic interaction model
  • Contributor: Hutchinson, Francis; Walters, Malcolm K.; Rowley, Adrian J.; Madden, Paul A.
  • imprint: AIP Publishing, 1999
  • Published in: The Journal of Chemical Physics
  • Language: English
  • DOI: 10.1063/1.478480
  • ISSN: 0021-9606; 1089-7690
  • Origination:
  • Footnote:
  • Description: <jats:p>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.</jats:p>