Calculation of the Energies of Gaseous Alkali Halide Dimer Molecules

Abstract

The energies of formation of gaseous alkali halide dimer molecules from the monomers have been calculated with a model suggested by Pauling. The dimers were found to be from 40 to 60 kcal more stable, energetically, than their separated monomers. These results are in agreement with the experimental data available. The free energies of dimerization were estimated and used to predict the trends observed in the ratio of monomer to dimer for several salts. It was found that the energies of dimers with different cations were slightly more negative than the average of the two pure dimers. Some experimental results supporting this conclusion are presented.