Cooperative mechanisms for the H + ICl reaction and their significance for the K + ICl experiment

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Abstract
To characterize the dynamics of halogen centre reactions, we have investigated the H + ICl system. In particular, we have focused our attention on the importance of indirect atom–diatom reactivity in determining the macroscopic and microscopic branching of a reaction. An analysis of opacity functions and trajectory plots evaluated for different collision angles and isotopic variants evidenced the occurrence of cooperative reactive mechanisms in which an atom of the target diatom favours reaction with the other end of the molecule. Two limiting cooperative mechanisms were singled out and associated with different ranges of the impact parameter. A generalization of these findings to heavier systems has been performed by considering the 39H + ICl reaction. Calculated properties of the model were found to agree with values measured for the K + ICl reaction.

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