Nonpair interactions in Na+(H2O) n clusters under thermal fluctuation conditions

Abstract

The influence of many-particle interactions on the structure of Na+(H2O) n clusters at 298 K was studied by the Monte Carlo method. The interaction parameters were reproduced from the experimental data on the Gibbs energy of hydration in water vapor. The interaction of induced dipoles results in the displacement of part of molecules through large distances from the ion. Covalent interactions strengthen the bond with the first attached molecule and weaken bonds with the other molecules.