Comprehensive analysis of bis(4-methylquinolinium) hexahalostannate(IV): Synthesis, spectral, structural and hirshfeld surface analysis

•Successfully synthesized the bis(4-methylquinolinium) hexahalostannate(IV) complex via a simple, efficient route.•X-ray diffraction revealed the crystalline structure, confirming hexahalostannate(IV) coordination with 4-methylquinolinium cations.•Both the hybrids crystallize in a triclinic system with centric space group pī.•Hirshfeld surface analysis uses 2D fingerprint plots to quantify intermolecular contacts. Metal-organic perovskites, bis(4-methylquinolinium) hexachlorostannate(IV) (1) and bis(4-methylquinolinium) hexabromostannate(IV) dihydrate (2), were synthesized from 4-methylquinolinium chloride and bromide at room temperature. Elemental analysis, IR, NMR, TG-DTA, SEM, EDS, XRF, XPS, DRS, PL spectroscopy, and powder and single-crystal X-ray diffraction characterized the hybrids. This study aims to investigate their structural, spectral, and photophysical properties, with an emphasis on hydrogen bonding interactions and potential electronic applications. Powder XRD confirmed bulk-phase purity, while single-crystal XRD revealed that both compounds crystallize in a centrosymmetric triclinic system (space group Pī). Strong hydrogen-bonding interactions were observed between the 4-methylquinolinium cation and the SnCl62− and SnBr62− anions. Bond valence sum calculations confirmed that the oxidation state of tin is close to 4+, which was further validated by XPS analysis. Diffuse reflectance spectroscopy indicated band gaps of 3.39 eV (1) and 3.11 eV (2), highlighting their optoelectronic potential. TG-DTA analysis validated molecular compositions, and Hirshfeld surface analysis quantified hydrogen bonding interactions, providing insights into the structural framework and electronic properties of these perovskites. [Display omitted]