An extended LCAC–SW quantum scattering study on the ion-pair formation reactions

In this Letter the LCAC–SW method has been extended to study the reaction dynamics for ion-pair formation processes on an M+X2→M++X2− reaction system involving two potential energy surfaces, i.e., the covalence state (M+X2) and the ionic state (M++X2−), and their crossing effect. The working equations for calculating the state-to-state probability have been derived based on the above two-state model, and the collinear state-selected probabilities for M+I2→M++I2− (M=Na, K, Cs) ion-pair formation systems have been obtained.