| Abstract
| - The effect of asymmetric aqueous solvation on the polarizability of the chloride anion is investigated byaccurate ab initio calculations on structures obtained from classical molecular dynamics and Car−Parrinellomolecular dynamics simulations. It is shown that a water environment significantly reduces the halidepolarizability on clusters, at interfaces, and in the bulk. In the relatively rigid cluster environment, the amountof this reduction strongly depends on the particular geometry of the complex, while in more disordered,extended liquid systems, the geometric effect is much weaker. Therefore, a single effective value around4 Å3 may be employed for the chloride anion polarizability in aqueous environments.
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