A wave packet study of Ar...I2(B)→Ar+I+I electronic predissociation

Abstract

A Golden Rule wave packet treatment of Ar...I2(B, v′=16-24)→Ar+I+I electronic predissociation is presented. It is assumed that the I2 electronic state responsible for the predissociation is the repulsive a (3Π1g). The calculations were performed at a fixed T-shaped configuration for two different van der Waals potentials in the a (3Π1g) electronic state, one purely repulsive and the other attractive. It is found that only the attractive potential can reproduce the oscillations of the electronic predissociation rate as a function of the initial vibrational quantum number v′ of I2 measured recently (M.L. Burke and W. Klemperer, J. Chem. Phys. 98 (1993) 6642). © 1994.