Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry Pub Date : 2025-01-01 DOI:10.1016/j.rechem.2024.101969

Marwa Mhiri , Sergiu Shova , Mohamed Boujelbene

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Abstract

A novel supramolecular hybrid compound, (C₈H₁₄N₂)₄·(TeBr₆)₃·2(Br), was synthesized at room temperature through slow evaporation and thoroughly characterized. Single-crystal X-ray diffraction analysis revealed its monoclinic structure (space group C2/c), with the crystal stabilized by NH…Br hydrogen bonds, anion…π⁺ and π…π interactions. Hirshfeld surface analysis quantified the intermolecular interactions, highlighting H…Br as the most dominant (55.7 %). Vibrational properties analyzed using FT-IR and Raman spectroscopy confirmed the functional groups of both organic and inorganic components, while thermal analysis demonstrated stability up to 100 °C. Preliminary insights into its structural features, such as the presence of [TeBr₆]²⁻ units and π interactions, suggest potential catalytic activity alongside optoelectronic and dielectric applications, warranting further investigation.

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