Effect of relative position of donor and acceptor groups on linear and non-linear optical properties of quinoline system

Abstract

Quinoline ring although extensively used in designing materials with non-linear optical (NLO) properties, the study of the effect of relative position of various electron-donor and electron-acceptor groups on these properties is still missing. Herein, we present a theoretical analysis of variation of various properties such as polarizability (α), static-hyperpolarizability (β), and one-, two-, and three-photon absorption processes with the relative positions of donor and acceptor groups in substituted quinoline ring using time-dependent density functional response theory. The observed variations in two- and three-photon transition strengths have also been analysed using few-state models.