Influence of electric field on the electro-optical and electronic properties of 4-n-alkoxy-4\(^\prime \)-cyanobiphenyl liquid crystal series: An application of DFT

Abstract

In this study, electro-optical and electronic properties of 4-n-alkoxy-4\(^\prime \)-cyanobiphenyl liquid crystal homologous series was explored. The effect of the number of carbon atoms present in the alkoxy chain on the electro-optical parameters and global reactivity descriptors has been investigated in the presence of applied electric field. Further, these parameters have also been studied under varying electric field for the homologue number, \(n = 8\)–12. Most of the parameters exhibit odd–even effect for a certain range of homologous numbers. The variation of the homologous number in the electric field is demonstrated to have a considerable impact on these outcomes.