Abstract
A promising organic nonlinear optical single crystals of pyridinium oxalate (1-) oxalic acid dihydrate (POOAD) was successfully synthesized to analyse its physiochemical properties. The grown crystal belongs to triclinic crystal system with space group \(\overline{{P }_{1}}\) and unit cell dimensions were found to be a = 7.17 Å, b = 9.79 Å, c = 10.26 Å. All interactions present in the crystal lattice were analysed by Hirshfeld surface analysis. Combined FTIR and Raman spectra of POOAD single crystal clearly suggested the active sites and authenticates the incorporation of oxalate part in the crystal lattice. NBO analysis elucidates that the structure was mainly stabilized by intermolecular hydrogen bond interaction. The nature of charges present in the material is theoretically investigated by Natural Population analysis. Absorbance maxima, optical window, optical bandgap, Urbatch energy, linear refractive index of POOAD crystal was estimated with the help of UV visible spectroscopy. Fluorescence studies shows POOAD exhibit green emission and its suitability for green light-emitting NLO devices. Global reactivity descriptors were calculated using HOMO- LUMO energy gap. MESP analysis visualize the effective inter molecular charge transfer interactions between the electrophilic and nucleophilic part which enhances the optical nonlinearity. The mechanical parameters such as yield strength, elastic stiffness, fracture toughness and brittle Index of the grown crystals is analyzed using Vicker’s microhardness test. Laser damage threshold of POOAD crystal is calculated as 2.15 GW/cm2 and is higher than the reference material. Z-scan experiment with nanopulsed Nd:YAG laser shows POOAD exhibit two-photon absorption induced optical limiting action. Thus POOAD crystal with high thermal and mechanical stability can be utilized as laser safety devices against most sensitive green nanopulsed lasers.
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Willington, T.D., Joema, S.E., Sindhusha, S. et al. Two photon absorption induced optical limiting action of oxalate salt of pyridine for laser-assisted optoelectronic techniques. J Mater Sci: Mater Electron 32, 25444–25461 (2021). https://doi.org/10.1007/s10854-021-07004-z
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DOI: https://doi.org/10.1007/s10854-021-07004-z