Investigating the third-order nonlinear optical properties of a Schiff base (DBAP) and its Co/Cu metal complex using Z-scan and DFT methodology

Abstract

Utilizing UV-visible, Fluorescence spectroscopic, and Z-scan methods, the optical and structural properties of 2-(4-(dimethyl amino)benzylidene amino) phenol (DBAP) and their Co/Cu metal complexes were studied. The Z-scan method has been used to investigate the nonlinear absorption coefficient (β), nonlinear refractive index (n2), third-order susceptibility (χ(3)), and optical limiting (OL). In dimethyl sulfoxide (DMSO) and methanol (MeOH) solvents, the DBAP and their Co/Cu metal complexes display positive nonlinear absorption and a positive nonlinear refractive index, according to the Z-scan data. Using the Z-scan approach and an 800 nm central wavelength, femtosecond amplified 48 fs pulse, 1kHz repetition rate laser, the compound's third-order nonlinear optical (NLO) properties are measured. According to the Z-scan data, we may modify the structure and bonding of legend with metals to improve the NLO capabilities of metal complexes, making this material a promising choice for upcoming optoelectronic and photonic devices. The geometrical structure of the compound is optimized using theoretical computations at the B3LYP that are functional with 6-31G and the LanL2DZ on a mixed basis, as determined by the density functional theory (DFT) framework. They provide insight into the charge transfer interactions taking place in the molecule through their HOMO-LUMO analysis.