Journal Article

FZJ-2022-00125

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Achieving and Stabilizing Uranyl Bending via Physical Pressure

Langer, E. M.FZJ* ; Kegler, P.FZJ* ; Kowalski, P. M.FZJ* ; Wang, S. ; Alekseev, E. V. (Corresponding author)FZJ*

2021
American Chemical Society Washington, DC

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Please use a persistent id in citations: http://hdl.handle.net/2128/30167  doi:10.1021/acs.inorgchem.1c00644

Abstract: Applying physical pressure in the uranyl–sulfate system has resulted in the formation of the first purely inorganic uranyl oxo-salt phase with a considerable uranyl bend: Na4[(UO2)(SO4)3]. In addition to a strong bend of the typically almost linear O═U═O, the typically equatorial plane is broken up by two out-of-plane oxygen positions. Computational investigations show the origin of the bending to lie in the applied physical pressure and not in the electronic influence or steric hindrance. The increase in pressure onto the system has been shown to increase uranyl bending. Furthermore, the phase formation is compared with a reference phase of a similar structure without uranyl bending, and a transition pressure of 2.5 GPa is predicted, which is well in agreement with the experimental results.

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Contributing Institute(s):

1. Technologische und regionale Innovationen (PTJ-TRI)
2. Nukleare Entsorgung und Reaktorsicherheit (IEK-6)
3. IEK-13 (IEK-13)
4. Grundlagen der Elektrochemie (IEK-9)

Research Program(s):

1. 1221 - Fundamentals and Materials (POF4-122) (POF4-122)
2. 1411 - Nuclear Waste Disposal (POF4-141) (POF4-141)
3. 1232 - Power-based Fuels and Chemicals (POF4-123) (POF4-123)

Appears in the scientific report 2021

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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