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<p>In this study, we explored the synthesis of an inorganic-organic single crystal, potassium (K) 18-crown-6 ether (18C6) cadmium II (Cd<sup>2+</sup>) tristhiocyanate (SCN)<sub>3</sub>; (KCCTC), grown at ambient temperature via the seed-assisted slow-evaporation solvent technique. Single-crystal and powder X-ray diffraction analyses established that KCCTC crystallizes in the orthorhombic system, space group Cmc<sub>21</sub>. Ultraviolet–Visible spectroscopy revealed an optical cut-off wavelength of 241&#xa0;nm and, using the Tauc method, a direct bandgap of 3.02&#xa0;eV. The low-wavelength transparency down to 270&#xa0;nm underscores (241&#xa0;nm) its promise for nonlinear optical applications. Second-harmonic generation measurements showed that KCCTC exhibits an SHG efficiency 2.32 times greater than that of potassium dihydrogen phosphate (KDP) single crystal. Infrared (FT-IR) spectra confirmed the presence of thiocyanate groups, with characteristic C–N stretching bands in 2086 and 2113&#xa0;cm<sup>−1</sup>. Moreover, the thermogravimetric (TG-DSC) studies indicated thermal stability up to 238&#xa0;°C, and third-order nonlinear susceptibility was determined to be 2.083 × 10<sup>–5</sup> esu. Collectively, these findings identify KCCTC as a strong candidate for laser display systems and other optoelectronic devices.</p>

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Seed-assisted growth, structural, thermal, and linear/nonlinear optical properties of potassium 18-crown-6 ether cadmium trithiocyanate (KCCTC) single crystal

  • 期刊论文

  • 发表日期：

    2026年7月18日

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  • P. Ilayaraja,
  • D. V. Sridevi,
  • Tushar H. B. Rana,
  • B. Gunasekaran,
  • T. C. Sabari Girisun,
  • G. Anbalagan,
  • V. Ramesh

摘要

In this study, we explored the synthesis of an inorganic-organic single crystal, potassium (K) 18-crown-6 ether (18C6) cadmium II (Cd2+) tristhiocyanate (SCN)3; (KCCTC), grown at ambient temperature via the seed-assisted slow-evaporation solvent technique. Single-crystal and powder X-ray diffraction analyses established that KCCTC crystallizes in the orthorhombic system, space group Cmc21. Ultraviolet–Visible spectroscopy revealed an optical cut-off wavelength of 241 nm and, using the Tauc method, a direct bandgap of 3.02 eV. The low-wavelength transparency down to 270 nm underscores (241 nm) its promise for nonlinear optical applications. Second-harmonic generation measurements showed that KCCTC exhibits an SHG efficiency 2.32 times greater than that of potassium dihydrogen phosphate (KDP) single crystal. Infrared (FT-IR) spectra confirmed the presence of thiocyanate groups, with characteristic C–N stretching bands in 2086 and 2113 cm−1. Moreover, the thermogravimetric (TG-DSC) studies indicated thermal stability up to 238 °C, and third-order nonlinear susceptibility was determined to be 2.083 × 10–5 esu. Collectively, these findings identify KCCTC as a strong candidate for laser display systems and other optoelectronic devices.