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<p>A proton-transfer complex, 3-carboxy-4-hydroxybenzenesulfonate 4-carboxyanilinium (3CH4CA) organic single crystal with nonlinear optical properties, was grown employing the slow evaporation method. The crystallographic framework was elucidated through single-crystal X-ray diffraction, validating its structural fidelity and unit cell parameters. Intermolecular forces were visualized using Hirshfeld surface mapping and 2D fingerprint analysis, while Fourier transform infrared spectra captured the vibrational signatures of key functional motifs. Optical characterization through UV–Vis absorption and fluorescence spectroscopy unveiled distinct electronic transitions and emissive behavior. The absorption edge at 301&#xa0;nm corresponded to a band gap of 4.18&#xa0;eV, highlighting the material’s narrow gap semiconducting nature and its aptitude for charge delocalization and pronounced nonlinear optical response. Notably, fluorescence analysis exhibited a prominent violet emission, underscoring the material’s potential in optoelectronic applications. Thermal endurance, probed by TG/DTA, confirmed stability up to 164&#xa0;°C. Dielectric studies across varying frequencies and temperatures further emphasized the compound’s responsive electrical behavior. Most significantly, third-order nonlinear optical susceptibility was quantified utilizing the Z-scan technique, positioning 3CH4CA as a robust contender for advanced photonic circuitry and optoelectronic device integration.</p>

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Unveiling the NLO properties of a proton-transfer complex, 3-carboxy-4-hydroxybenzenesulfonate 4-carboxyanilinium single crystal for advanced optoelectronic applications

  • 期刊论文

  • 发表日期：

    2026年8月1日

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  • D. Henista Jarly,
  • A. S. Jebamalar,
  • G. Vinitha

摘要

A proton-transfer complex, 3-carboxy-4-hydroxybenzenesulfonate 4-carboxyanilinium (3CH4CA) organic single crystal with nonlinear optical properties, was grown employing the slow evaporation method. The crystallographic framework was elucidated through single-crystal X-ray diffraction, validating its structural fidelity and unit cell parameters. Intermolecular forces were visualized using Hirshfeld surface mapping and 2D fingerprint analysis, while Fourier transform infrared spectra captured the vibrational signatures of key functional motifs. Optical characterization through UV–Vis absorption and fluorescence spectroscopy unveiled distinct electronic transitions and emissive behavior. The absorption edge at 301 nm corresponded to a band gap of 4.18 eV, highlighting the material’s narrow gap semiconducting nature and its aptitude for charge delocalization and pronounced nonlinear optical response. Notably, fluorescence analysis exhibited a prominent violet emission, underscoring the material’s potential in optoelectronic applications. Thermal endurance, probed by TG/DTA, confirmed stability up to 164 °C. Dielectric studies across varying frequencies and temperatures further emphasized the compound’s responsive electrical behavior. Most significantly, third-order nonlinear optical susceptibility was quantified utilizing the Z-scan technique, positioning 3CH4CA as a robust contender for advanced photonic circuitry and optoelectronic device integration.