Journal
CHEMICAL PHYSICS LETTERS
Volume 420, Issue 1-3, Pages 199-203Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2005.12.051
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Recent experiments and simulations show that large chaotropic anions favor solvation at the water surface.. mainly due to induction interactions dominated by ionic polarizabilities. We compare the solvation free-energy components of iodide at the water surface and bulk with a recent, polarizable force field. The bulk position is stabilized by the interaction between the iodide permanent charge and the solvent permanent dipole moments; the surface is favored by the iodide polarizability and the reduced cavity accommodating the solute. The ionic solvation is not described satisfactorily by linear response; the non-linearity of the iodide induced dipole moment is discussed. (c) 2005 Elsevier B.V. All rights reserved.
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