Binding Energies of Alkali Halide Molecules
- 1 June 1961
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 34 (6) , 2069-2078
- https://doi.org/10.1063/1.1731823
Abstract
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.Keywords
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