Synthesis and study of nonlinear optical properties of an enaminothione derived from enaminone and Lawesson’s reagent

Abstract

Lawesson’s reagent is used with β-enaminone to synthesize the compound (Z)-1,3-diphenyl-3-(phenylamino) prop-2-ene-1-thione. The 6–311 + + G(d,p) basis set is employed to evaluate the stability of the molecule’s probable tautomers via DFT with the functionals ωB97XD, M062X, B3LYP, and CAM-B3LYP. The ρBCP value for the hydrogen bond in the gas phase ranges from 0.035962 to 0.038105 e/a03. The intramolecular hydrogen bonding is relatively weak, as evidenced by atoms in molecules (AIM) computations conducted across several media and theoretical models. We examine the nonlinear optical (NLO) properties of enaminothione after illuminating with two continuous wave (CW) laser beams. We employ diffraction patterns (DPs) and the closed aperture (CA) Z-scan techniques to determine the nonlinear refractive index (NLRI) of enaminothione. The NLRI is equal 4.996 × 10^–7 cm²/W at the wavelength 473 nm. The application of 473 nm and 532 nm laser beams on enaminothione has demonstrated its ability to transition between all-optical switching (AOS).