New hybrid compound (C6H10N2)(H2PO4)2: insights into its structural, optical, and electrical behavior for electronic applications

Abstract

This study reports the synthesis, structural analysis, and optical and electrical characterization of a novel organic–inorganic hybrid compound: o-phenylenediammonium bis(dihydrogenophosphate) (C₆H₁₀N₂)(H₂PO₄)₂. Single-crystal X-ray diffraction analysis reveals that the compound crystallizes in the triclinic system within the centrosymmetric space group P. Its crystal structure is stabilized by a three-dimensional hydrogen-bonding network involving both N–H⋯O and O–H⋯O interactions, which significantly enhance the material's structural cohesion and interionic connectivity. Optical characterization via UV–Visible spectroscopy demonstrates strong light absorption and reveals a direct optical band gap of 2.13 eV, suggesting promising potential for optoelectronic applications. In parallel, complex impedance spectroscopy highlights favorable electrical and dielectric behavior over various frequencies and temperatures. The AC conductivity of the polycrystalline sample was found to follow Jonscher's universal power law. Moreover, the asymmetrical shape of the imaginary part of the electric modulus, analyzed using the Kohlrausch–Williams–Watts (KWW) model, confirms the presence of non-Debye relaxation dynamics. The material exhibits a remarkably high dielectric permittivity (ε′ ≈ 8 × 10⁴), underscoring its strong potential for energy storage applications. These results underline the strong interplay between the compound's electrical and optical properties, positioning it as a promising multifunctional material for future electronic, photonic, and energy-related applications.