The Phase Morphology of 2,5 DI-Substituted Pyridine Derivatives: A Quantum Mechanical Analysis

Abstract

A comparative analysis of some mesogenic and nonmesogenic molecules of 2, 5 disubstituted pyridine derivatives molecules has been carried out. The multicenter multipole expansion method is used to obtain the various interaction energy terms. The phase morphology of the mesogenic molecular system has been further investigated with the aid of various energy terms of configurations. The multicenter multipole expansion method is satisfactory and predicts the mesogenic behavior of molecular systems.