Journal of Chemical Physics, Vol.120, No.3, 1375-1382, 2004
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. (C) 2004 American Institute of Physics.