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

被引：35

作者：

Hutchinson, F ^{[1
]}

Walters, MK ^{[1
]}

Rowley, AJ ^{[1
]}

Madden, PA ^{[1
]}

机构：

[1] Univ Oxford, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 110卷 / 12期

关键词：

D O I：

10.1063/1.478480

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. (C) 1999 American Institute of Physics. [S0021-9606(99)50912-4].

引用

页码：5821 / 5830

页数：10

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