Quantum dynamical study of resonance effects in the collinear reaction H2+I→HI+H

Collinear quantum mechanical calculations are reported for the endothermic reaction H2+I→HI+H. Resonance structure observed in the scattering results is attributed to the formation of compound (quasibound) states. Perturbation calculations successfully predict the energies of these resonance states. Coupling between the open channels and the closed channel associated with the resonance state is discussed. The lifetime and amplitude of the resonance states associated with a particular closed channel are correlated with the inelasticity or reactivity of the same channel immediately above its threshold. The role of resonance states in enhancing otherwise inefficient reactive pathways is discussed.