Molecular interaction between a pair of some smectic and ferroelectric liquid crystals

The Influence of the Structural Features of Molecules on Spontaneous Polarization Value in Induced Ferroelectric Liquid Crystal Systems

“…Table 1. Minimum magnitudes of energy of pair interaction for and arrangements of molecules and the main parameters, specifying their optimum packing [7]. As it is apparent from the Table 1, for the {C}{C}, {D}{D} and {A}{D} the packing of molecules is the most favorable, which corresponds to the experimental data on local arrangement for some Sm LC.…”

“…3). The optimal structure of pairs {A}{A}, {B}{B}, {C}{C} and {D}{D}, being adequate to a minimum of the ( -is the potential function expressing the intramolecular interaction) function, corresponds to the conformation of molecules, which are sharply distinct from the conformation of appropriate isolated molecules, as the [7] calculations show. The molecules acquire a form like plane under the influence of intermolecular forces.…”

“…As follows from the presented results the largest value of corresponds to the {A}/{D}20% LC system. This circumstances looks rather unexpected from the viewpoint of the obligatory conditions (• ability of compound with long alkyl tails of molecules to form a phase with a spontaneous tilt of molecules; •• availably of a chiral fragment; ••• presence whenever possible the transverse dipole moment ensuring the contribution in through the value of piezoelectric and flex electric coefficients [7]) imposed by the theory on molecular structure of the chiral adding for the occurance. LC {D}, though has weak ferroelectric properties [3], but it has not rigidly connected transverse dipole moment of molecules near the asymmetric carbon atom.…”

A Theoretical Study of Molecular Ordering of Some Smectic Liquid Crystals

“…A Lennard ;ones ("6-12") type potential represents Van der Waals interactions (Urn, = Udv + UmP) [6,7]. The Upo/ expression is taken from [12].…”