For loosely bound ion-molecule clusters anharmonicity is important for describing their unimolecular dissociation dynamics and kinetics. In this talk the energy and temperature dependent dissociation of the Na+(Benzene)1,2 and I-(H2O)1,2 clusters will be described. Anharmonicity must be correctly represented to obtain an accurate description of the unimolecular dissociation of these clusters. The weak intermolecular forces for these clusters are accurately represented by classical mechanics and their classical densities of states may be convoluted with the quantum densities of states for the intramolecular vibrational degrees of freedom to obtain overall accurate densities of states.

Unimolecular dynamics and reactant density of states for ion-molecule clusters

251st National Meeting (2016)

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