Dielectric and elastic properties of liquid crystals.

The structural properties, the static and relaxation dielectric coefficients [epsilon(j) and epsilon(j)(omega) (j= ||, perpendicular)], the rotational diffusion constants D( perpendicular) and D( ||), the orientational correlation times tau(1)(i0) (i=0,1), and the bulk elastic constants K(i) (i=1,2,3) are investigated for polar liquid crystals, such as 4-n-pentyl-4(')-cyanobiphenyl (5CB). epsilon(j) are calculated by a combination of the existing molecular theory and statistical-mechanical approach (SMA) that takes into account translational and orientational correlations as well as their coupling, whereas epsilon(j)(omega) are calculated by combining SMA and nuclear magnetic resonance relaxation theory, both based on a rotational diffusion model in which the reorientation of an individual molecule is assumed as stochastic Brownian motion in a potential of mean torque. Reasonable agreement between the calculated and experimental values of epsilon(j) and epsilon(j)(omega) for 5CB is obtained. The bulk Frank elastic constants K(i) (i=1,2,3), for splay, twist, and bend distortion modes, as well as their ratios K(3)/K(1) and K(2)/K(1) are also obtained.