Comprehensive investigation of a new Sn(IV) hybrid crystal: structural, optical, thermal, Hirshfeld surface, and antibacterial properties of (C₇H₇N₂S)₂[SnBr₆]
摘要
A new hybrid material was synthesized at room temperature by reacting tin bromide with 2-aminobenzothiazole in an ethanolic medium. The slow evaporation solution process was used to grow the material crystal. A single-crystal X-ray diffraction investigation shows that the molecule crystallizes in the triclinic system, resulting in a Pī space group. The structure is defined by charge-assisted N–H+··Br cation–anion hydrogen bonds, permitting the alternation of organic and inorganic layers. The infrared spectra suggest that the compound shows NH asymmetric stretching vibration at 3265 cm−1. The crystal was discovered to be transparent above 235 nm, possessing a band gap energy of 3.01 eV, determined using diffuse reflectance spectral analysis. Photoluminescence studies found a strong peak at 452 nm, which might be attributed to blue luminescence. The tin formal oxidation state is + 4, according to bond valence sum calculations. The continuous symmetry measure of tin bromide computation closely mimics the anion found in a perfect octahedral form. Hirshfeld surface analysis was utilized to investigate intermolecular interactions, and the bluish patches show that the distance between surrounding atoms is greater than the total of their individual van der Waals radii. The thermal behavior of the compound was further investigated using thermal analysis, which demonstrated that the title single crystal can tolerate temperatures up to 237 °C. The scanning electron microscopy investigation revealed a rough surface shape, which is typical of hard materials. The presence of tin in the crystal lattice is also verified by X-ray energy dispersive spectroscopy. Antibacterial investigations show significant action against human infections.