A new organic–inorganic hybrid compound (NH₃(CH₂)C₆H₄CO₂H)[SnCl₆]: Synthesis, crystal structure, vibrational, optical, magnetic properties and theoretical study

A new organic-inorganic hybrid (NH₃(CH₂)C₆H₄CO₂H)[SnCl₆] crystallizes in a triclinic system (P-1 space group) at room temperature, with unit cell parameters of a = 6.8643(2) Å, b = 6.9777(2) Å, c = 14.0056(5) Å, α = 91.120(2)°, β = 97.232(2)°, γ = 118.476(2) and Z = 2. Its structure is determined by single-crystal X-ray diffraction, revealing that the crystal structure is stabilized by hydrogen bonding between +[NH₃CH₂C₆H₄CO₂H] cations and isolated [SnCl₆]⁻ anions to form organic and inorganic sheets parallel to the (a,b) plane and stacked along the c-axis. Hirshfeld surface analysis and fingerprint plots were utilized to elucidate the intermolecular interactions. X-ray photoelectron spectroscopy (XPS) is employed to confirm the phase purity, and micro-Raman spectroscopy is employed to probe the vibration modes. In addition, the compound is characterised by vibrating sample magnetometer (VSM) measurements as well as UV–visible absorption spectroscopy. The Raman and UV–visible spectra predicted by density functional theory (DFT) are in good agreement with the experimental Raman and UV–visible spectra.