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<p>Nonlinear optical (NLO) crystal growth includes difficulty in achieving defect-free large crystals, controlling phase-matching conditions, maintaining chemical stability, and scaling up growth methods for practical device applications. A monocrystalline form of S-Benzylthiuronium chloride oxalate (S-BTUOXA) was successfully synthesized under ambient conditions using distilled water as the solvent medium, following the standard slow evaporation solution technique. Single-crystal X-ray diffraction (SXRD) revealed that the crystal crystallizes in the monoclinic system, adopting the P2<sub>1</sub>/n space group. Fourier transform infrared (FTIR) spectroscopy was employed to investigate the vibrational modes of the crystal. UV–visible–NIR spectroscopy was utilized to assess the optical behavior of S-BTUOXA, where transmittance data spanning 200–1100&#xa0;nm indicated an optical cut-off at 240&#xa0;nm and an estimated energy band gap of 4.83&#xa0;eV. The crystal’s emission characteristics were investigated through fluorescence spectroscopy, while thermal analysis via TG–DTA revealed stability up to 177&#xa0;°C with distinct decomposition phases. Mechanical integrity was evaluated using Vickers microhardness testing, yielding a Meyer’s index of 3, showing the moderate hardness. Dielectric studies, conducted for varying frequencies at room temperature, provided insights into both the dielectric constant and loss. Furthermore, third-order nonlinear optical susceptibility was quantified using the Z-scan method with a 632.8&#xa0;nm He–Ne laser, highlighting the crystal’s suitability for nonlinear optical applications. This work reports, for the first time, the synthesis and crystallographic characterization of S-Benzylthiuronium chloride oxalate.</p>

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Analyzing the third-order nonlinear optical activity of novel S-Benzylthiuronium chloride oxalate single crystal for optoelectronic application

  • 期刊论文

  • 发表日期：

    2026年2月26日

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  • S. Sheeba Rani,
  • A. S. Jebamalar,
  • S. Sindhusha,
  • G. Vinitha

摘要

Nonlinear optical (NLO) crystal growth includes difficulty in achieving defect-free large crystals, controlling phase-matching conditions, maintaining chemical stability, and scaling up growth methods for practical device applications. A monocrystalline form of S-Benzylthiuronium chloride oxalate (S-BTUOXA) was successfully synthesized under ambient conditions using distilled water as the solvent medium, following the standard slow evaporation solution technique. Single-crystal X-ray diffraction (SXRD) revealed that the crystal crystallizes in the monoclinic system, adopting the P21/n space group. Fourier transform infrared (FTIR) spectroscopy was employed to investigate the vibrational modes of the crystal. UV–visible–NIR spectroscopy was utilized to assess the optical behavior of S-BTUOXA, where transmittance data spanning 200–1100 nm indicated an optical cut-off at 240 nm and an estimated energy band gap of 4.83 eV. The crystal’s emission characteristics were investigated through fluorescence spectroscopy, while thermal analysis via TG–DTA revealed stability up to 177 °C with distinct decomposition phases. Mechanical integrity was evaluated using Vickers microhardness testing, yielding a Meyer’s index of 3, showing the moderate hardness. Dielectric studies, conducted for varying frequencies at room temperature, provided insights into both the dielectric constant and loss. Furthermore, third-order nonlinear optical susceptibility was quantified using the Z-scan method with a 632.8 nm He–Ne laser, highlighting the crystal’s suitability for nonlinear optical applications. This work reports, for the first time, the synthesis and crystallographic characterization of S-Benzylthiuronium chloride oxalate.