Synthesis and characterization of piperazine nitrate monochloride semi-organic single crystal for NLO applications

Abstract A semiorganic single crystal of piperazine nitrate chloride (PNC) was grown utilising the gradual evaporation solution technique at ambient temperature. The crystal lattice properties and molecular structure of the formed crystal of PNC were identified via X-ray diffraction examination of a single crystal and are consistent with the monoclinic crystal system with space group P21/n. Using Hirshfeld surface analysis, intra and intermolecular interactions were displayed. The FTIR spectrum analysis presented here examines the vibratory patterns of several functional sections found within the PNC crystal. The crystal exhibits a low absorbance throughout the entire visible spectrum according to studies of UV–vis-NIR absorbance and calculated band gap as well as optical constants. TG/DTA analysis was used to identify the stability and breakdown properties. This refractive index was computed using the prism coupling method. At different temperatures studies of the dielectric properties were conducted and the Vickers hardness technique was employed to investigate the mechanical properties. The grown crystal's laser-damaged threshold value was found. The Z-scan method investigates a PNC crystal’s third-order NLO behaviours. This method makes it possible to calculate the material's linear and nonlinear refractive indices. The PNC crystal exhibits strong third-order nonlinear optical properties, crucial for applications in optical switching and NLO devices.