L. Blum et Wr. Fawcett, DIELECTRIC BEHAVIOR OF POLAR-POLARIZABLE SOLVENTS IN GENERIC MEAN SPHERICAL APPROXIMATIONS - THE KIRKWOOD G(K)-FACTOR, Journal of physical chemistry, 100(24), 1996, pp. 10423-10427
The dielectric properties of polar solvents are considered within the
context of generic mean spherical approximations. Given the molecular
diameter in a spherical representation, the dipole moment, and molecul
ar polarizability, the static permittivity of such a solvent is estima
ted on the basis of the Wertheim polarization parameter and a stickine
ss parameter which accounts for other electrostatic features of the bu
ll: system and nonsphericity of the actual solvent molecules. The stic
kiness parameter is related to the magnitude of dipole-dipole interact
ions for a series of solvents with the same polar group. This model is
also used to estimate the Kirkwood structure factor. The values obtai
ned are in excellent agreement with structural features of these syste
ms obtained from experiment.