Abstract
Efficient semi organic nonlinear optical (NLO) Piperazinium Tetrachlorozincate monohydrate (PTZM) [C4H12N2][ZnCL4]·H2O single crystals have been grown by slow evaporation solution technique (SEST) and Sankaranarayanan-Ramasamy (SR) method using water as solvent. Single crystal X-ray diffraction (SXRD) analysis reveals the unit cell parameters of the grown crystal. The morphology of the grown crystal was identified by the single crystal XRD analysis. The electrical properties, dielectric constant, dielectric loss and piezoelectric (d33) coefficient were determined. The etch pit density of PTZM crystal has been calculated by using the chemical etching analysis. The laser damage threshold (LDT) analysis was investigated by Nd: YAG laser and the wavelength of laser is 1064 nm. The mechanical stability of the grown PTZM crystal was studied using Vickers microhardness measurement. Utilizing quantum chemical calculations, the PTZM compound is analyzed for vibrational properties, HOMO and LUMO characteristics, NBO interactions, and the determination of first-order hyperpolarizability. The nonlinear susceptibility and first-order hyperpolarizability results provide compelling evidence and affirm the PTZM molecule’s potential as a strong candidate for nonlinear optical (NLO) applications.
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