A systematic study on the reactivity of Lewis acid-base complexes through the local hard-soft acid-base principle

The present paper addresses the stability of Lewis acid-base complexes using the recently developed local hard-soft acid-base (HSAB) principle. The principal role of electronegativity equalization and the charge redistribution process in stabilizing the complexes is demonstrated. The soft-soft and hard-hard types of interactions are well distinguished by the electron transfer parameter. The effect of correlation on the reactivity descriptors and subsequently on the soft-soft as well as hard-hard interactions has been studied. The validity of the present model in calculating the interaction energy of these complexes with varying degrees of strength is demonstrated