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<p>An organic co-crystal, thiourea pentanedioic acid (TPA), has been synthesized from aqueous solution through the gradual evaporation method. Single crystal X-ray diffraction refinement proved that TPA crystallizes in the orthorhombic system with the <i>Pnma</i> space group. The strong intermolecular N–H⋯ O and O–H⋯ S hydrogen bonding interactions maintain its structure. Raman spectroscopic study proved the presence of characteristic vibrational modes and hydrogen bonding. UV–Vis spectroscopic analysis revealed excellent transparency in the visible region and intense UV absorbance for the TPA co-crystal. The Tauc plot explored a wide optical bandgap of 4.17&#xa0;eV. The optical parameters, including optical conductivity, refractive index, and extinction coefficient, highlight significant UV interaction and minimal loss in the visible spectrum. Photoluminescence spectrum revealed dual emission peaks at 484&#xa0;nm (blue-cyan) and 525&#xa0;nm (green), with a color purity of 75.84%, indicating the possibility for optoelectronic devices. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) displayed multiple redox processes and a high charge transfer resistance of 5200 Ω, emphasizing its electrochemical stability. The multifunctional character of the TPA crystal makes it a prospective optoelectronic, luminescent, and energy sector material.</p>

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Structural, optical, photoluminescent, and electrochemical features of thiourea pentanedioic acid crystals for functional devices

  • 期刊论文

  • 发表日期：

    2025年10月11日

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  • C. John de Britto,
  • Raja Elangovan,
  • Santosh Kumar Nathsharma,
  • M. K. Nagarajan,
  • Helen Merina Albert,
  • Vairaprakash Selvaraj

摘要

An organic co-crystal, thiourea pentanedioic acid (TPA), has been synthesized from aqueous solution through the gradual evaporation method. Single crystal X-ray diffraction refinement proved that TPA crystallizes in the orthorhombic system with the Pnma space group. The strong intermolecular N–H⋯ O and O–H⋯ S hydrogen bonding interactions maintain its structure. Raman spectroscopic study proved the presence of characteristic vibrational modes and hydrogen bonding. UV–Vis spectroscopic analysis revealed excellent transparency in the visible region and intense UV absorbance for the TPA co-crystal. The Tauc plot explored a wide optical bandgap of 4.17 eV. The optical parameters, including optical conductivity, refractive index, and extinction coefficient, highlight significant UV interaction and minimal loss in the visible spectrum. Photoluminescence spectrum revealed dual emission peaks at 484 nm (blue-cyan) and 525 nm (green), with a color purity of 75.84%, indicating the possibility for optoelectronic devices. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) displayed multiple redox processes and a high charge transfer resistance of 5200 Ω, emphasizing its electrochemical stability. The multifunctional character of the TPA crystal makes it a prospective optoelectronic, luminescent, and energy sector material.