Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Synthesis, crystal structure and luminescence of [(CH3)3S]2ZrCl6
Δημιουργός/Συγγραφέας:	Tagiara, Nagia S. Psycharis, Vassilis [EL] Καλτζόγλου, Ανδρέας[EN] Kaltzoglou, Andreas
Ημερομηνία:	2024
Γλώσσα:	Αγγλικά
ISSN:	0095-8972 1029-0389
DOI:	10.1080/00958972.2024.2312456
Περίληψη:	The current work reports on the synthesis, crystal structure and optoelectronic properties of (Me3S)2ZrCl6, prepared by reacting the solid precursors (Me3S)Cl and ZrCl4 in pyrex tubes at 150 °C under vacuum. According to X-ray powder diffraction and Rietveld analysis, (Me3S)2ZrCl6 crystallizes in the cubic space group Pa-3 (No. 205) with a = 12.4664(1) Å. The crystal structure consists of isolated trigonal pyramidal trimethylsulfonium cations and octahedral [ZrCl6]2- anions with weak hydrogen bonds among them and no signs of structural disorder. This 0D-material is stable in air and dissolves in water and dimethylformamide. Raman spectroscopy shows characteristic vibrational modes for the organic and inorganic moieties over the frequency range of 5–3200 cm−1. UV-Vis spectroscopy reveals a large band gap of 5.1 eV and a broadband luminescence with emission maximum at 465 nm in the solid state. The luminescent properties of (Me3S)2ZrCl6 are discussed and compared with those of similar inorganic or metal-organic compounds.
Τίτλος πηγής δημοσίευσης:	Journal of Coordination Chemistry
Τόμος/Κεφάλαιο:	77
Τεύχος:	3-4
Θεματική Κατηγορία:	[EL] Οπτική. Φώς[EN] Optics. Light [EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry
Λέξεις-Κλειδιά:	trimethylsulfonium cation Zr(IV) salts organic-inorganic compounds ‘defect’ Perovskite structure luminescence
Χρηματοδότης:	Hellenic Foundation for Research and Innovation (H.F.R.I.)
EU Grant:	2nd Call for H.F.R.I. Research Projects to support Post-doctoral Researchers
EU Grant identifier:	450
Κάτοχος πνευματικών δικαιωμάτων:	© 2024 Informa UK Limited, trading as Taylor & Francis Group
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://doi.org/10.1080/00958972.2024.2312456
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο