ABSTRACT
In the present work, based on the Parr’s electrophilicity index a new equation for the computation of the lattice energies of inorganic ionic crystals is derived. The new equation is used to compute the lattice energies of some sets of inorganic ionic crystals. As for the validity test of the proposed equation of lattice energy, a comparative study of the results is done using the computed lattice energy with their experimental counterparts and some sets of theoretical lattice energy data. The comparative study shows excellent correlation with theoretical lattice energy data computed using our equation and experimental lattice energy data. The study revealed that the new equation is valid and reliable. The minimum electrophilicity Principle is one of the well-known electronic structure principles. We have also discussed the validity of minimum electrophilicity principle in inorganic ionic crystals and 474the study showed that this electronic structure principle contradicts with the lattice energies of inorganic solids.
