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Title of article :
Dissecting the stabilization of iodide at the air–water interface into components: A free energy analysis
Author/Authors :
Archontis، نويسنده , , Georgios and Leontidis، نويسنده , , Epameinondas، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
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Abstract :
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.
Journal title :
Chemical Physics Letters
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Link To Document :