Lattice energies for metal halides from average orbital electronegativities

Abstract In the present work, an empirical equation is derived, in order to allow the calculation of lattice energies for inorganic monohalides based on the cation radius and the halide average orbital electronegativity:                   UPOT = (-2.739 r+ + 650.676) Ẋ + (3.796 r+ – 370.851), where r+ = cátion radius (pm) and  Ẋ is the average electronegativity for the considered monohalide. The obtained equation was applied to Li, Na, K, Rb, Cs, Fr, Cu, Tl and Au mono halides, with good results. For gold, a relativistic correction factor is applied.

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Updated: April 30, 2018 — 4:12 am