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Synthesis, growth, structural, thermal and optical properties of diguanidinum hydrogen phosphate monohydrate (G2HP) crystal for NLO applications

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Abstract

A semi-organic nonlinear optical diguanidinum hydrogen phosphate monohydrate (G2HP) single crystal was synthesized by slow solvent evaporation technique. Single crystal XRD analysis was done on the grown semi-organic crystal G2HP. It reveals that the title compound has crystallized in a non-centrosymmetric tetragonal system with space group \({\text{P}}\bar{4}2_{1} {\text{c}}\). Solubility of the synthesized material has been determined for various temperatures using water as solvent. Intermolecular interaction of diguanidinum G2HP was visualized using Hirshfeld surface (HS) analysis. HS analysis permitted for the identification of individual types of intermolecular and their impact on the complete packing. Fingerprint plots of HS were used to locate and analyze the percentage of H…H, O…H, N…H hydrogen-bonding interactions. The functional groups present in diguanidinum G2HP and the different modes of vibrations were identified by Fourier transmission spectrum analysis. The UV–Visible spectrum (UV–Vis) of G2HP crystal was between 200 and 800 nm and the lower cut off wavelength was found to be 242 nm. The energy band gap was estimated as 5.5 eV using Tauc’s plot. The thermogravimetric and differential thermal analysis ensures the thermal stability, melting point and decomposition point of the crystal. From the thermal study, the material is found to be stable up to 397 °C. Second harmonic generation studies shows that G2HP crystal exhibits 0.5% efficiency in comparison with other standard materials.

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  1. Department of Physics, Loyola College, Chennai, 600034, India

    M. P. Nancy & J. Mary Linet

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Nancy, M.P., Mary Linet, J. Synthesis, growth, structural, thermal and optical properties of diguanidinum hydrogen phosphate monohydrate (G2HP) crystal for NLO applications. J Mater Sci: Mater Electron 30, 10109–10116 (2019). https://doi.org/10.1007/s10854-019-01346-5

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