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

Tim Graubner; Antti J. Karttunen; Florian Kraus

doi:10.1002/ejic.202300387

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 [UO₂F_x]^2−x and [UO₂F_x(NH₃)_5−x]^2−x

Tim Graubner
, Antti J. Karttunen
, Florian Kraus^*

^*Tämän työn vastaava kirjoittaja

University of Marburg

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

4 Sitaatiot (Scopus)

85 Lataukset (Pure)

Abstrakti

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 [UO₂F_x]^2−x and [UO₂F_x(NH₃)_5−x]^2−x with x=0 to 4.

Alkuperäiskieli	Englanti
Artikkeli	e202300387
Sivumäärä	10
Julkaisu	European Journal of Inorganic Chemistry
Vuosikerta	26
Numero	28
Varhainen verkossa julkaisun päivämäärä	1 elok. 2023
DOI - pysyväislinkit	https://doi.org/10.1002/ejic.202300387
Tila	Julkaistu - 2 lokak. 2023
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Rahoitus

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.

Pääsy asiakirjaan

10.1002/ejic.202300387Lisenssi: CC BY

CHEM_Graubner_et_al_A_Dinuclear_Uranium_2023_Eur_J_Inorg_ChemFinal published version, 3,19 MBLisenssi: CC BY

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Sukella tutkimusaiheisiin '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 [UO₂F_x]^2−x and [UO₂F_x(NH₃)_5−x]^2−x'. Ne muodostavat yhdessä ainutlaatuisen sormenjäljen.

CSD 2270898: Experimental Crystal Structure Determination
Graubner, T. (Creator), Karttunen, A. (Creator) & Kraus, F. (Creator), FIZ Karlsruhe - Leibniz Institute for Information Infrastructure, 19 kesäk. 2023
DOI - pysyväislinkki: 10.25505/fiz.icsd.cc2g71sk
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Siteeraa tätä

Graubner, T., Karttunen, A. J., & Kraus, F. (2023). 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 [UO₂F_x]^2−x and [UO₂F_x(NH₃)_5−x]^2−x. European Journal of Inorganic Chemistry, 26(28), Artikkeli e202300387. https://doi.org/10.1002/ejic.202300387

@article{d4d9c2dc3f4f48fc8f6dac6b122a46fe,

title = "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",

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.",

keywords = "liquid ammonia, quantum-chemical calculations, thallium, Uranium, uranyl fluoride",

author = "Tim Graubner and Karttunen, \{Antti J.\} and Florian Kraus",

note = "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: {\textcopyright} 2023 The Authors. European Journal of Inorganic Chemistry published by Wiley-VCH GmbH.",

year = "2023",

month = oct,

day = "2",

doi = "10.1002/ejic.202300387",

language = "English",

volume = "26",

journal = "European Journal of Inorganic Chemistry",

issn = "1434-1948",

publisher = "Wiley",

number = "28",

}

Graubner, T, Karttunen, AJ & Kraus, F 2023, '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 [UO₂F_x]^2−x and [UO₂F_x(NH₃)_5−x]^2−x', European Journal of Inorganic Chemistry, Vuosikerta 26, Nro 28, e202300387. https://doi.org/10.1002/ejic.202300387

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 [UO₂F_x]^2−x and [UO₂F_x(NH₃)_5−x]^2−x. / Graubner, Tim; Karttunen, Antti J.; Kraus, Florian.
julkaisussa: European Journal of Inorganic Chemistry, Vuosikerta 26, Nro 28, e202300387, 02.10.2023.

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

TY - JOUR

T1 - 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

AU - Graubner, Tim

AU - Karttunen, Antti J.

AU - Kraus, Florian

N1 - 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.

PY - 2023/10/2

Y1 - 2023/10/2

N2 - 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.

AB - 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.

KW - liquid ammonia

KW - quantum-chemical calculations

KW - thallium

KW - Uranium

KW - uranyl fluoride

UR - https://www.scopus.com/pages/publications/85166189384

U2 - 10.1002/ejic.202300387

DO - 10.1002/ejic.202300387

M3 - Article

AN - SCOPUS:85166189384

SN - 1434-1948

VL - 26

JO - European Journal of Inorganic Chemistry

JF - European Journal of Inorganic Chemistry

IS - 28

M1 - e202300387

ER -