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Crystal growth, structural, optical, computational, and Z-scan analyses of imidazolium hydrogen oxalate crystal for nonlinear optical applications

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Abstract

Imidazolium hydrogen oxalate (IHO) single crystals were grown by the slow evaporation method. The title crystal crystallized in a monoclinic crystal structure with a centrosymmetric space group of P21/n. The 1H NMR contains a peak at 4.90 ppm due to the presence of proton in oxalic acid. The O–H stretching vibration is noted at 3162 cm−1 in FT-IR and in FT-Raman at 3172 cm−1. The optical transparency and band gap were evaluated from the UV–Vis–NIR spectrum. The PL spectrum has a high violet emission band at 361 nm. TG/DTG study was used to find the thermal stability of the IHO crystal. Hirshfeld surface (HS) analysis revealed the molecular intermolecular interactions in the IHO molecule. The total polarizability (α) of the IHO molecule is 8.2652 × 10−24 esu. The third-order nonlinear susceptibility [χ(3)] of the IHO crystal is determined to be 2.6422 × 10−9 esu.

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  1. PG & Research Department of Physics, Sri Vijay Vidyalaya College of Arts and Science, Nallampalli, Dharmapuri, Tamil Nadu, 636807, India

    Elavarasi Chinnakannu & Mugundan Sankar

  2. Department of Physics, Government Arts and Science College, Hosur, Tamil Nadu, 635110, India

    Senthilkumar Chandran

  3. Centre for Crystal Growth, Department of Physics, SSN College of Engineering, Kalavakkam, Chennai, Tamil Nadu, 603110, India

    Keerthivasan Thamotharan & Srinivasan Manickam

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EC helped in the formal analysis, methodology, investigation, conceptualization, and writing of the original draft; MS helped in the conceptualization, formal analysis, review and editing of the original draft, and supervision; SC helped in the formal analysis, methodology, validation, and writing, reviewing, and editing of the original draft; KT helped in the formal analysis, investigation, and conceptualization; SM helped in the formal analysis, methodology, and supervision.

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Chinnakannu, E., Sankar, M., Chandran, S. et al. Crystal growth, structural, optical, computational, and Z-scan analyses of imidazolium hydrogen oxalate crystal for nonlinear optical applications. Journal of Materials Research 39, 1246–1257 (2024). https://doi.org/10.1557/s43578-024-01306-8

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