Exploring nonlinear and linear optical properties of N, N’-bis(salicylidene)-o-phenylenediamine (salophen) through Z-scan technique and TD-DFT computational analysis

Abstract

This investigation delves into the comprehensive analysis of the linear and nonlinear optical characteristics exhibited by N, N’-bis(salicylidene)-o-phenylenediamine (salophen) using a combination of Z-scan methodology and quantum chemistry calculations. The Z-scan technique facilitated meticulous computations of the third-order susceptibility, nonlinear absorption coefficient, and nonlinear refractive index of the specimen. Specifically, in the solvent DMSO, the assessed values for the nonlinear refractive index, nonlinear absorption coefficient, and third-order susceptibility were determined to be 0.035 × 10–10 cm2 W −1 , −0.024 × 10–5 cm W −1 , and 0.596 × 10–5 esu, respectively. Furthermore, quantum mechanical analyses were employed to meticulously calculate the molecular hyperpolarizabilities (β and γ), dipole moment (μ), and dipole polarizability (α) of salophen. This thorough exploration highlighted a notable congruence between the outcomes derived from experimental observations and those obtained through quantum mechanical simulations. The collective findings from both theoretical computations and experimental assessments distinctly showcase the robust nonlinear potential inherent in salophen. These insights suggest its promising suitability and potential as a viable candidate for applications in optical devices. The alignment between theoretical predictions and experimental results underlines the reliability and potential practicality of salophen in the realm of optical technology, emphasizing its significance as a potential material for advancing optical device functionalities.