This title appears in the Scientific Report :
2021
Please use the identifier:
http://dx.doi.org/10.1021/acs.inorgchem.1c00644 in citations.
Please use the identifier: http://hdl.handle.net/2128/30167 in citations.
Achieving and Stabilizing Uranyl Bending via Physical Pressure
Achieving and Stabilizing Uranyl Bending via Physical Pressure
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...
Saved in:
Personal Name(s): | Langer, Eike M. |
---|---|
Kegler, Philip / Kowalski, Piotr M. / Wang, Shuao / Alekseev, Evgeny V. (Corresponding author) | |
Contributing Institute: |
Grundlagen der Elektrochemie; IEK-9 IEK-13; IEK-13 Nukleare Entsorgung; IEK-6 Technologische und regionale Innovationen; PTJ-TRI |
Published in: | Inorganic chemistry, 60 (2021) 12, S. 8419 - 8422 |
Imprint: |
Washington, DC
American Chemical Society
2021
|
DOI: |
10.1021/acs.inorgchem.1c00644 |
Document Type: |
Journal Article |
Research Program: |
Power-based Fuels and Chemicals Nuclear Waste Disposal Fundamentals and Materials |
Link: |
Published on 2021-06-07. Available in OpenAccess from 2022-06-07. Restricted |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/30167 in citations.
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. |