Abstract
A new (C8H12N)(2)SnCl6 center dot 2H(2)O was isolated from a slow evaporation reaction at ambient temperature. The title compound crystallizes in the triclinic/P 1 space group, as determined by X-ray diffraction (XRD). The anions [SnCl6](2-) and the H2O molecules are connected via O-H center dot center dot center dot Cl H-bonds to build up inorganic sheets extending on the plane (a, b) at z=0 and the (C8H12N)(+) cations are inserted between two successive layers and connect them through multiple H-bonds to make an infinite 3D structure. The intermolecular interactions were fully characterized using the Hirshfeld surface analysis, while the associated 2D fingerprints plots were generated to understand their contribution in building the solid-state architecture within the structure. Powder XRD was used to verify the purity of the crystalline sample phase. FT-IR and CP-MAS NMR spectroscopy were used to investigate the vibrational modes and NMR characteristics. Moreover, the optical properties were investigated. The DFT calculations were utilized to explain these findings and determine the gap energy using the HOMO and LUMO energies. In addition, the XPS analysis was reported to analyze the surface chemistry. Finally, the thermal analysis by TG/DTA were performed, to determine its thermal behavior.