Synthesis, structure, spectral and Hirshfeld surface analysis of bis((pyridin-1-ium-4-yl)methanaminium) hexahalostannate(IV) dihalide

Single crystals of the newly synthesized organic-inorganic hybrid salts, namely bis((pyridin-1-ium-4-yl)methanaminium) hexachlorostannate(IV) dichloride (1) and bis((pyridin-1-ium-4-yl)methanaminium) hexabromostannate(IV) dibromide (2), were successfully grown and subsequently subjected to detailed characterization using single-crystal X-ray diffraction analysis. The experimental XRD patterns exhibit sharp and high-intensity peaks, attesting to the high crystallinity and structural integrity of the synthesized compounds. The band gaps of the hybrid materials can be effectively tuned by altering the halide ion, as evidenced by the different band gaps of 4.21 eV for compound (1) and 2.93 eV for compound (2). Photoluminescence investigations reveal that both compounds emit fluorescence in the solid state at room temperature. Additionally, bond valence sum calculations have verified that tin possesses a formal oxidation state of +4. Examination of intermolecular interactions and crystal packing through Hirshfeld surface analysis.