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  Scopus ID: 21100926589

Quantum Mechanical Density Functional Approach for the Studies of Nonlinear Optical and Reactivity Parameter of 5O.5 Liquid Crystal

Adrish Chakraborty, Ayon Bhattacharjee and Debanjan Bhattacharjee

Abstract

This article emphasizes the nonlinear optical properties of 5O.5 liquid crystal compound. Generally, 5O.5 is a Schiff based compound and it shows different liquid crystalline phases with the variation of temperature. With changing temperature, the phases of the liquid crystal changes and it gives various important information about the ordering of the liquid crystal. The density functional theory (DFT) approach has been used to find the different parameters such as reactivity parameters and structural parameters of the compound. Dipole moments, polarizability and non-linear optical (NLO) properties are essential to understanding different optical and physical behaviors of the liquid crystal are also reported in this article. The NLO properties of the compounds possess many properties which is useful for NLO based applications.

Published on: December 27, 2023
doi: 10.17756/nwj.2023-s5-044
Citation: Chakraborty A, Bhattacharjee A, Bhattacharjee D. 2023. Quantum Mechanical Density Functional Approach for the Studies of Nonlinear Optical and Reactivity Parameter of 5O.5 Liquid Crystal.NanoWorld J 9(S5): S227-S230.

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