Solvent dependent nonlinear optical properties of benzodioxol chalcone: An elucidation of spectroscopic, DFT, solvatochromism and z-scan technique

Abstract

Novel push–pull chalcone derivative, 3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one (BZDP) which can exhibit fascinating third-order nonlinear optical characteristics were probed through experimental cum theoretical simulations. The structural confirmation of the molecule is analysed via spectral studies. Studied chalcone is examined for linear and nonlinear optical studies which revealing molecule's ability as an organic NLO material. The electronic transitions are reflected in the absorption and emission spectra of the examined molecule. The fluorescence quantum yield was found to be 0.12. The experimental results were reinforced by the computational simulations executed using density functional theory method. Ground and excited state dipole moments, in addition to nonlinear optical properties were evaluated by solvatochromism. NLO studies were carried out in polar and non-polar solvent media by z-scan technique. Besides, the optical limiting ability of the compound reveals that it can be used as an optical limiter.