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Synthesis, growth, structural, and optical properties of benzotriazolium oxalate dihydrate (BTO) single crystal

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Abstract

A novel organic single crystal of Benzotriazolium oxalate dihydrate (BTO) C7 H6 N3 O2 has been grown successfully by the conventional slow solvent evaporation solution growth technique using water and methanol as solvents. A single-crystal XRD technique was used to ascertain the lattice parameters of grown BTO crystals. The obtained single crystal XRD data confirms that, the BTO crystal, crystallizes into a monoclinic structure with a centrosymmetric P21/c space group. It consist of a 5-membered ring of two carbon atoms and 1,2,3-Triazole of three nitrogen atoms fused to a benzene ring. The results provide essential insights into the crystal’s stability and its packing density. Diffraction planes (h k l) were obtained from the powder XRD, which are in good agreement with the corresponding CIF file. FT-IR analysis confirmed the different types of functional groups present in the grown crystal. BTO has lower cut-off wavelength at 300 nm, which are assigned to the benzene and oxalate moiety, as demonstrated by the UV–Vis absorption spectra. The optical band gap energy (Eg) of BTO single crystals is found to be 4.140 eV.

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Authors and Affiliations

  1. Department of Physics, St. Joseph’s College of Engineering, Chennai, 600119, India

    S. Manikandan & P. Krishnan

  2. Centre for Crystal Growth, Department of Physics, Sri Sivasubramaniya Nadar College of Engineering, Kalavakkam, 603 110, India

    P. Rajesh

  3. Department of Physics, RMK College of Engineering and Technology, Puduvoyal, 601206, India

    T. Sundareswaran

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  1. S. Manikandan
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Contributions

S.Manikandan: Formal analysis, Investigation, Data curation, Writing- Original draft preparation. P.Krishnan: Experimental Validation, Theoretical Validation, Writing- Reviewing and Editing. Rajesh Paulraj:Experimental Validation, Conceptualization, Correction. T.Sundareswaran: Experimental Validation, Theoretical Validation, Writing- Reviewing and Editing.

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Manikandan, S., Krishnan, P., Rajesh, P. et al. Synthesis, growth, structural, and optical properties of benzotriazolium oxalate dihydrate (BTO) single crystal. J Mater Sci: Mater Electron 34, 1855 (2023). https://doi.org/10.1007/s10854-023-11240-w

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