On the enthalpy of formation of diatomic intermetallic molecules

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Abstract
A model description, originally designed to account for the heat of formation of solid intermetallic compounds, is extended to include the enthalpies of formation of diatomic intermetallic molecules. In the model the area of the contact surface between dissimilar atomic cells is of central importance. Using the symmetric dimers as reference states, the authors derive the enthalpy of formation from the difference in electronegativity phi * and the difference in the electron density at the boundary of a solid atomic cell, nws. For molecules that contain at least one transition metal there is good agreement between calculated and experimental values of the dissociation energies, DAB0. For molecules that contain W, Ir, Hg or Si, predictions are presented in tabular form.