@article {43599,
	title = {Synthesis, crystal structure and optoelectronic properties of [(CH3)3S]SnBr3},
	journal = {Journal of Coordination Chemistry},
	year = {2025},
	month = {2025},
	publisher = {Taylor and Francis Ltd.},
	abstract = {We report on the preparation, crystal structure and spectral properties of the novel trimethylsulfonium tin tribromide, [(CH3)3S]SnBr3. The compound was synthesized by the solid-state reaction of (CH3)3SBr and SnBr2 in evacuated pyrex tubes at 150 {\textdegree}C. Single-crystal X-ray diffraction (SCXRD) studies at -173.15 {\textdegree}C show that it forms a 0D network of isolated pyramids of [SnBr3]- and (CH3)3S+ units in an orthorhombic structure (space group P212121, No. 19, a = 9.4508(8) {\r A}, b = 14.1691(12) {\r A}, c = 15.4409(14) {\r A})). Powder X-ray diffraction (PXRD) and Le bail profile fit analysis reveals that [(CH3)3S]SnBr3 adopts at room temperature a different crystal structure with space group (Pmmm, No. 47). Moreover, the oxidation of the compound occurs gradually in ambient air, towards the formation of [(CH3)3S)]2SnBr6 (space group Pa-3, No. 205). Multi-temperature Raman spectroscopy reveals that a fully reversible structural phase transition occurs for [(CH3)3S]SnBr3 between -36 and -56 {\textdegree}C, as evidenced by the changes in the vibrational modes of the [SnBr3]- ions. A direct band gap of 3.38 eV at RT is determined via UV{\textendash}vis diffuse reflectance spectroscopy. Photoluminescence spectroscopy at -196.15 {\textdegree}C and 25 {\textdegree}C shows a weak luminescence signal with an emission maximum at ca. 460 nm for both temperatures.},
	keywords = {luminescence, multi-temperature Raman spectroscopy, Organic-inorganic compounds, Sn(II) halides, trimethylsulfonium cation},
	author = {Koutsoubogeras, John and Tsoureas, Nikolaos and Tagiara, Nagia S. and Kaltzoglou, Andreas}
}
