Structure and reactivity of ion hydration complexes in solution

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Abstract
Abstra t - Hydration complexes, lon an object of study in the coordination chemistry field, c:n now be studied more directfy by new and powerful methods. Among the new experimental methods are the refined neutron scattering methods developed by J. E. Enderby, G. Neilson and co-workers. Another is the study of ion-solvent clusters in molecular beams, especially by spectroscopic techniques. Some important new theoret- ical studies begin with calculating the Born-Oppenheimer potential surfaces for very small ion-water clusters. Then one of the available statistical mechanical techniques is applied to generate solvent-averaged ion-ion pair potentials from which measurable equilibrium solution properties can be calculated. In another new development, the same solvent-averaged models are dressed with bare ionic self diffusion coefficients and with the ion-ion hydrodynamic interactions. From such models one can calculate some of the solution transport coefficients for comparison with real systems. Illustrations of both consistencies and contradictions are found.

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