Exploring the diversity of materials and improving their usage in real-time applications is very important. Here, the organic piperazine para-nitrophenol (PPNP) single crystals were successfully grown using methanol and mixed solvent (methanol 50%-water 50%) by slow evaporation technique at room temperature. Single and poly-crystal XRD, UV–visible, and FT-IR/Raman studies revealed that the PPNP compound is monoclinic centro-symmetric (CS) with low cutoff wavelength and various functional groups. Fluorescence spectroscopy confirmed that the intense peak was observed in the red region. Hirshfeld surface analysis, fingerprint plot and framework explore the strength of the synthesized compounds' intermolecular interactions. The melting point of grown crystals was about 114 °C by thermo-gravimetric and differential thermal (TG-DTA) analyses. A chemical etching study was carried out on the grown crystal. Nd: YAG laser beam was used to evaluate the laser damage value of the crystal. The dielectric constant (ε՛) and dielectric loss (ε՛՛) of crystals have been studied as a function of frequency and temperatures. The PPNP has a third harmonic generation active crystal structure and exhibits featured absorption and fluorescent properties. A Z-scan technique characterized the improved third-order optical nonlinear properties of the crystal. It is a promising aspirant in optoelectronic devices as it enhancement the linear and nonlinear, encouraging results of organic PPNP.
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