Dipole solvation in dielectrics.
This paper presents an exact solution for the free energy of linear solvation of a dipolar solute in an arbitrary dielectric material with a microscopic spectrum of polarization fluctuations. The solution is given in terms of wave vector-dependent longitudinal and transverse structure factors of the polarization fluctuations in the pure dielectric. Good agreement with computer simulations of dipole solvation in dipolar and dipolar--quadrupolar liquids is achieved.
Matyushov
Dmitry V
DV
Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287-1604, USA. dmitrym@asu.edu