Nonadiabatic Effects in Unimolecular Reactions of Ionized Molecules
We have studied several unimolecular reactions of ionized molecules which exhibit remarkable effects. According to ab initio calculations, the mechanism of these reactions is controlled by a nonadiabatic interaction, i.e., a crossing between two potential energy surfaces leading in most cases to an electronic predissociation. Our aim is to derive criteria which could help us to distinguish between adiabatic and nonadiabatic reactions. Particularly interesting are the remarkably strong isotope effects which sometimes affect the three observable quantities which characterize a reaction.
KeywordsInternal Energy Potential Energy Surface Translational Energy Kinetic Energy Release Unimolecular Reaction
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