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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>