Abstract
Canonical variational transition state theory is used to study the kinetics of Li++(CH3)2O association. Transition states and rate constants are calculated for a complete analytic potential energy surface which includes all inter- and intramolecular coordinates, and for an ion–dipole/ion–induced-dipole two-body potential. These surfaces have a single transition state at each temperature. Anisotropy in the polarizability is found to have a negligible effect on the association transition states and rate constants. The canonical variational transition state theory rate constants are in good agreement with those calculated by other formalisms.
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