New insights of structural, thermal, dielectric and nonlinear optical properties of L-asparaginium orthophosphite crystal: A spectroscopic view

Abstract

The single crystals of L-asparaginium orthophosphite (LAOP) were grown by slow evaporation technique at room temperature. The grown crystals were subjected to powder XRD, FT–IR, UV–vis, SEM, TG/DTA, dielectric, Vicker's microhardness and SHG studies. The crystal structure of the grown crystal was characterized by powder X-ray diffraction technique. The various functional groups were affirmed by the Fourier transform infrared spectroscopic studies. The grown crystal has been good transparency in the visible region, which is an essential requirement for a nonlinear optical crystal. Dielectric constant and dielectric loss were measured for as grown crystal for different frequencies and temperatures. The surface morphology SEM analysis was accomplished for the grown LAOP crystal. The mechanical properties of the crystal were examined by Vicker's microhardness study. The nonlinear optical efficiency of the grown crystal was estimated by Kurtz-Perry powder method. The HOMO, LUMO energy of the molecule has been estimated using density functional theories method.