Molecular spectroscopy and adverse optical properties of N-(p-hexyloxy-benzylidene)–p-toluidine (HBT) liquid crystal molecule studied by DFT methodology

In present work, we report the N-(p-hexyloxy-benzylidene)–p-toluidine (HBT) liquid crystal (LC) molecule having maximum absorbance due to the O–C stretching (carbon atom of benzene ring) during the intermolecular interaction. Under the expansion of an external electric field, the HBT LC having nematic to smectic phase stability with adverse (negative values) order parameter and birefringence. The refractive index expresses stability in the nematic, smectic, and isotropic phases. The director angle maintains stability for the nematic phase in the adverse order and smectic phase stable in positive order.