Authors
Ilya Rips, Joshua Jortner
Publication date
1992/7/1
Journal
The Journal of chemical physics
Volume
97
Issue
1
Pages
536-546
Publisher
American Institute of Physics
Description
Solvent size effects on ion solvation in clusters of polar molecules are explored. Expressions for the adiabatic and the vertical solvation energies of an ion imbedded in a cluster are derived within the framework of the mean‐spherical approximation (MSA). The short‐range order in the finite system is assumed to be similar to that in the bulk liquid, allowing to use the bulk MSA pair correlation function. The solvent shell structure is manifested in the size dependence of the solvation energy for several (4–5) solvent shells. The hydration energies and the vertical electron photodetachment threshold energies of halide anions in water clusters were evaluated. The bulk values of these physical parameters for large anions (I and Br ) are in good agreement with experimental data. The predicted size dependence of the vertical photodetachment threshold, Iv(n), is in good agreement with experimental data for the small I(H2 …
Total citations
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Scholar articles
I Rips, J Jortner - The Journal of chemical physics, 1992