Title of article :
Odd-Even Effect Observed in the Electro-Optical Properties of the Homologous Series of HnCBP Liquid Crystal Studied under the Impact of the Electric Field: A Theoretical Approach
Author/Authors :
Kumar ، Narinder Department of Physics - School of Physical Decision Sciences - Babasaheb Bhimrao Ambedkar University , Singh ، Pawan Department of Physics - School of Physical Decision Sciences - Babasaheb Bhimrao Ambedkar University , Thapa ، Khem Department of Physics - School of Physical Decision Sciences - Babasaheb Bhimrao Ambedkar University , Kumar ، Devesh Department of Physics - School of Physical Decision Sciences - Babasaheb Bhimrao Ambedkar University
Abstract :
The liquid crystal (LC) 4-4′-disubstituted biphenyls (HnCBP) of the general line formula HO-(CnH2n+1)-O-C6H4-C6H4-CN (n=1-12) shows the odd-even effect under the applied electric field. The odd even effects are observed in the HOMO-LUMO gap, birefringence, order parameter, and dipole moment. The odd carbon atom number of the alkyl chain shows HOMO-LUMO gap, birefringence, and order parameter in the upward direction, and even the carbon atom number of the alkyl chain shows in the downward direction; however, the dipole moment exhibits a shift of even carbon number of alkyl chain in the upward direction and odd carbon number of alkyl chain in the downward direction.
Keywords :
Liquid crystals (HnCBP) , Electric field , Odd , Even effect , DFT (B3LYP). Molecular Spectroscopy
Journal title :
Iranian Journal of Mathematical Chemistry
Journal title :
Iranian Journal of Mathematical Chemistry