Binding Energies of Alkali Halide Molecules

The repulsive part of the energy of interaction of an alkali ion and a halogen ion may be written fe—z/r, where f and r are constants appropriate to the ions and z is the internuclear distance. In alkali halide crystals and monomers, f and r may be determined empirically, but in the case of the dime...

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Bibliographic Details
Published in:The Journal of chemical physics 1961-06, Vol.34 (6), p.2069-2078
Main Author: Rothberg, G. M.
Format: Article
Language:English
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Summary:The repulsive part of the energy of interaction of an alkali ion and a halogen ion may be written fe—z/r, where f and r are constants appropriate to the ions and z is the internuclear distance. In alkali halide crystals and monomers, f and r may be determined empirically, but in the case of the dimers the necessary data are lacking. In this paper the repulsive energy is examined qualitatively with use of the Thomas-Fermi model, and an approximation is found for the dimer constants that enables accurate calculations to be made of the binding energies of the dimers.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1731823