Odd–even effect of 7O.m liquid crystal compound series studied under the effect of the electric field by density functional theory (DFT) methods

Abstract

The homologous series of the organic compound N(p-n-heptyloxy-benzylidene) p-toluidine (7O.m) expresses the odd–even effect under the influence of an external applied electric field by density functional theory (DFT) methods. The dipole moment, order parameter, and birefringence express an odd–even effect. At the same time, the Homo–Lumo gap and isotropic polarizability do not exhibit any odd–even effect under the influence of an external applied electric field. The Homo–Lumo gap remains constant for the homologous series of 7O.m (m = 1–10). The isotropic polarizability and refractive index continuously increase with an extension of alkyl chain length. The DFT methods (B3LYP and M062X) exhibit the same nature of optical characteristics for all the series but with different values.