Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Synthesis, crystal structure and optoelectronic properties of [(CH3)3S]SnBr3
Δημιουργός/Συγγραφέας:	Koutsoubogeras, John Tsoureas, Nikolaos Tagiara, Nagia S. [EL] Καλτζόγλου, Ανδρέας[EN] Kaltzoglou, Andreas
Ημερομηνία:	2025
Γλώσσα:	Αγγλικά
ISSN:	0095-8972 1029-0389
DOI:	10.1080/00958972.2025.2483880
Περίληψη:	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 °C. Single-crystal X-ray diffraction (SCXRD) studies at −173.15 °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) Å, b = 14.1691(12) Å, c = 15.4409(14) Å)). 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 °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–vis diffuse reflectance spectroscopy. Photoluminescence spectroscopy at −196.15 °C and 25 °C shows a weak luminescence signal with an emission maximum at ca. 460 nm for both temperatures.
Τίτλος πηγής δημοσίευσης:	Journal of Coordination Chemistry
Τόμος/Κεφάλαιο:	78
Τεύχος:	21
Θεματική Κατηγορία:	[EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry [EL] Φασματοσκοπία[EN] Spectroscopy
Λέξεις-Κλειδιά:	organic-inorganic compounds trimethylsulfonium cation Sn(II) halides luminescence multi-temperature Raman spectroscopy
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://doi.org/10.1080/00958972.2025.2483880
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο