An insight into the nonlinear optical properties of dihydroxyphenyl chalcone derivative: Combined assessment by DFT, solvatochromism and z-scan technique

Abstract

The current research reports the nonlinear optical features of a chalcone derivative, (E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one which are examined through theoretical and experimental approaches. The spectra from the NMR, FT-IR, FT-Raman, and UV–Vis were retrieved and studied. Density functional theory computations were executed to confirm the experimental findings. Ground-state and excited-state dipole moments were assessed by solvatochromism. Also, the nonlinear optical characteristics were examined using two-level solvatochromic model and theoretically by hybrid functionals - B3LYP and CAM-B3LYP. By employing the z-scan technique, the third-order NLO characteristics as well as the limiting threshold of the chalcone in polar and nonpolar solvent media were studied. The z-scan results demonstrate the chalcone as a desirable candidate for designing optoelectronic and photonic devices.