A Dinuclear Uranium Complex [{UO2F2(NH3)}2(μ-F)2]2− from Reaction of TlF and UO2F2 in Liquid Anhydrous Ammonia and Fluoride Ion Affinities for Some Uranyl(VI) Species [UO2Fx]2−x and [UO2Fx(NH3)5−x]2−x

Loading...
Thumbnail Image
Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2023-10-02
Major/Subject
Mcode
Degree programme
Language
en
Pages
10
Series
European Journal of Inorganic Chemistry, Volume 26, issue 28
Abstract
UO2F2 abstracts F− anions from TlF in liquid ammonia solution and the compound [Tl2(NH3)6][{UO2F2(NH3)}2(μ-F)2] is formed. The compound has been characterized by single crystal X-ray diffraction, Raman spectroscopy and quantum-chemical calculations for the solid state. Quantum-chemical investigation of the [{UO2F2(NH3)}2(μ-F)2]2− anion showed that the U−(μ-F)−U σ-3c-4e-bond is essentially ionic. The [Tl2(NH3)6]2+ cation shows a thallophilic Tl⋅⋅⋅Tl interaction. Fluoride ion affinities (FIAs) were calculated for different UO22+ species [UO2Fx]2−x and [UO2Fx(NH3)5−x]2−x with x=0 to 4.
Description
Funding Information: T. G. thanks the HPC‐EUROPA3 (INFRAIA‐2016‐1‐730897) for a travel grant and the computing resources provided by CSC, the Finnish IT Center for Science. T. G. thanks A. Barba for conducting some experiments. F. K. thanks the Deutsche Forschungsgemeinschaft, KR3595/13‐1, for funding. Open Access funding enabled and organized by Projekt DEAL. Publisher Copyright: © 2023 The Authors. European Journal of Inorganic Chemistry published by Wiley-VCH GmbH.
Keywords
liquid ammonia, quantum-chemical calculations, thallium, Uranium, uranyl fluoride
Other note
Citation
Graubner , T , Karttunen , A J & Kraus , F 2023 , ' A Dinuclear Uranium Complex [{UO 2 F 2 (NH 3 )} 2 (μ-F) 2 ] 2− from Reaction of TlF and UO 2 F 2 in Liquid Anhydrous Ammonia and Fluoride Ion Affinities for Some Uranyl(VI) Species [UO 2 F x ] 2−x and [UO 2 F x (NH 3 ) 5−x ] 2−x ' , European Journal of Inorganic Chemistry , vol. 26 , no. 28 , e202300387 . https://doi.org/10.1002/ejic.202300387