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<p>Single crystals of 4-hydroxypiperidinium 2,4-dinitrophenolate (HPDNP) were successfully grown using slow evaporation techniques. The resulting yellow block-shaped crystals, stabilized by O–H•••O, C–H•••O, and N–H•••O hydrogen bonds involving cation–anion interactions, were characterized via single-crystal X-ray diffraction. The crystal structure adopts a monoclinic system with a centrosymmetric P2<sub>1</sub>/<i>c</i> space group. Thermal analysis confirms the compounds stability up to 180&#xa0;°C, followed by major decomposition between 200&#xa0;°C and 250&#xa0;°C. Optical studies show an absorption cutoff at 458&#xa0;nm with a calculated bandgap of 2.70&#xa0;eV, suggesting potential for optoelectronic applications. Dielectric studies indicate that HPDNP exhibits strong frequency and temperature-dependent behavior, with enhanced dielectric constant and conductivity at lower frequencies and elevated temperatures due to interfacial polarization and thermally activated charge carriers. Furthermore, fingerprint plot analysis reveals the percentage contribution of hydrogen bonding interactions, providing deeper insights into the crystals structural stability.</p>

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Design, structural insights, dielectric studies, and Hirshfeld surface analysis of 4-hydroxypiperidinium 2,4-dinitrophenolate

  • 期刊论文

  • 发表日期：

    2025年7月21日

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  • C. Sathya,
  • S. Senthan,
  • L. Guganathan,
  • S. Dhanasekaran,
  • V. Balasubramanian,
  • A. B. Ibragimov,
  • E. Sh. Samandarov,
  • P. Suppuraj,
  • M. Prabakaran,
  • C. Balakrishnan

摘要

Single crystals of 4-hydroxypiperidinium 2,4-dinitrophenolate (HPDNP) were successfully grown using slow evaporation techniques. The resulting yellow block-shaped crystals, stabilized by O–H•••O, C–H•••O, and N–H•••O hydrogen bonds involving cation–anion interactions, were characterized via single-crystal X-ray diffraction. The crystal structure adopts a monoclinic system with a centrosymmetric P21/c space group. Thermal analysis confirms the compounds stability up to 180 °C, followed by major decomposition between 200 °C and 250 °C. Optical studies show an absorption cutoff at 458 nm with a calculated bandgap of 2.70 eV, suggesting potential for optoelectronic applications. Dielectric studies indicate that HPDNP exhibits strong frequency and temperature-dependent behavior, with enhanced dielectric constant and conductivity at lower frequencies and elevated temperatures due to interfacial polarization and thermally activated charge carriers. Furthermore, fingerprint plot analysis reveals the percentage contribution of hydrogen bonding interactions, providing deeper insights into the crystals structural stability.