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 d ynamics for ion-pair formation processes on an M + X-2 --> M+ + X-2(-) reac tion system involving two potential energy surfaces, i.e., the covalence st ate (M + X-2) and the ionic state (M+ + X-2(-)), 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-se lected probabilities for M + I-2 --> M+ + I-2(-) (M = Na, K, Cs) ion-pair f ormation systems have been obtained. (C) 1999 Elsevier Science B.V. All rig hts reserved.