The presence of various functional groups have been confirmed by FTIR and FT-Raman spectra analysis. The grown crystal was studied by powder X-ray diffraction (PXRD) measurement, it has sharp peaks which indicates good crystallinity. Intermolecular interactions of 2AP4N molecule were analyzed by Hirshfeld surface analysis. Initially, the structure of grown 2AP4N single crystal was confirmed by the single crystal X-ray diffraction (SXRD). The good quality organic 2-aminopyridinium 4-nitrophenolate 4-nitrophenol (2AP4N) single crystals with the dimension of 30 × 5 × 5 mm3 have been grown by slow evaporation solution technique (SEST) at ambient temperature within the period of 30 days using methanol as solvent. The electronic structure of the molecular system and the optical properties were also studied from quantum chemical calculations using Density Functional Theory (DFT) and reported for the first time. The laser damage threshold was measured by using Nd: YAG laser beam passed through the sample and it was found to be 1.006 GW/cm 2. The Second Harmonic Generation (SHG) of MPMN was found to be 1.57 times greater than the standard KDP crystal. The presence of dislocations and growth pattern of crystal were analyzed using chemical etching technique. The wide optical absorption window and the lower cutoff wavelength of MPMN show the suitability of the material for the various laser related applications. The placement of protons and carbons of MPMN were identified from Nuclear Magnetic Resonance Spectroscopy (NMR) analysis. The formation of the CeNeC vibrational band at 1115 cm À1 in Fourier Transform Infra-Red (FTIR) analysis confirms the formation of MPMN compound. The cubic structure with non-centrosymmetric space group Cc was confirmed and cell dimensions of the grown crystal were obtained from single crystal X-ray diffraction (XRD) study.
The experimental and theoretical analysis made towards the exploitation in the field of electro-optic and NLO applications. The existence of second harmonic generation (SHG) signal was observed using Nd:YAG laser with fundamental wavelength of 1064 nm.Ģ-Naphthol substituted Mannich base 1-morpholino(phenyl)methyl)naphthalen-2-ol (MPMN), a potential NLO active organic single crystal was developed using acetonitrile as a solvent by slow evaporation method. The thermal stability of compound was determined by thermogravimetric and differential thermal analysis (TG-DTA) traces. The UV–Visible absorption spectrum was recorded to study the optical transmittance in the range from 200 to 800 nm. The proton and carbon nuclear magnetic resonance (1HNMR and 13CNMR) spectral studies confirmed the presence of hydrogen and carbon bonded network in the grown crystal. The presence of functional groups was qualitatively found by Fourier transform infrared (FTIR) spectral analysis. The various planes of reflection were identified from the powder XRD pattern. The crystal system was identified and lattice dimensions were measured from the single crystal X-ray diffraction (XRD) analysis. Good quality single crystal of SPHA was successfully grown by slow evaporation method at room temperature. A new organic nonlinear optical material semicarbazone of p-hydroxy acetophenone (SPHA) was synthesized.
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