An organic nonlinear optical crystal of L-histidinium-4-nitrophenolate 4-nitrophenol (LHPNP), was grown by employing the conventional growth process of slow evaporation method. The grown LHPNP crystal was characterized by the spectral measurement (FTIR, UV-Visible, and PL) and Vicker’s hardness test. The grown crystal was found to be in the system of monoclinic with non-centrosymmetric space group P21 with dimension 12 × 9 × 6 mm3. The optical band gap value of the LHPNP crystal is Eg = 2.71 eV. The dielectric studies (dielectric constant, dielectric loss and ac conductivity) of the grown crystal were measured for the frequency ranging between 100 Hz and 1200 Hz. The thermal stability of the grown crystal has been put forth by the standard thermal method of TG-DTA. The LDT analysis was carried out making use of Q-switched Nd: YAG laser and the value of LDT is estimated to be greater as compared to KDP. The SHG efficiency of the grown crystal of LHPNP is 3.5 times greater than that of a standard KDP crystal. The Hirshfeld Analysis has been carried out to understand the crystal surface properties, stability and intermolecular interaction of the LHPNP crystal.
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