Molecular spectroscopy and adverse optical properties of N-(p-hexyloxy-benzylidene)–p-toluidine (HBT) liquid crystal molecule studied by DFT methodology. (29th May 2020)

• Record Type: Journal Article
• Authors: Kumar, Narinder; Singh, Pawan; Thapa, Khem B; Kumar, Devesh
• Is Part Of: IOP SciNotes. Volume 1:Number 1(2020)
• Publication Date: 2020-05-29
• Subjects: HBT liquid crystal -- Molecular spectroscopy -- electro-optical effect -- DFT(B3LYP); 500
• DOI: 10.1088/2633-1357/ab7f83
• Languages: English
• ISSNs: 2633-1357

Abstract

Abstract: 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.