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001     904795
005     20240712113144.0
024 7 _ |a 10.1021/acs.inorgchem.1c00644
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100 1 _ |a Langer, Eike M.
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245 _ _ |a Achieving and Stabilizing Uranyl Bending via Physical Pressure
260 _ _ |a Washington, DC
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|b American Chemical Society
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520 _ _ |a 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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700 1 _ |a Kegler, Philip
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700 1 _ |a Kowalski, Piotr M.
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700 1 _ |a Wang, Shuao
|0 0000-0002-1526-1102
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700 1 _ |a Alekseev, Evgeny V.
|0 P:(DE-Juel1)144426
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|e Corresponding author
773 _ _ |a 10.1021/acs.inorgchem.1c00644
|g Vol. 60, no. 12, p. 8419 - 8422
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|t Inorganic chemistry
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|y 2021
|x 0020-1669
856 4 _ |u https://juser.fz-juelich.de/record/904795/files/Bent%20USO4_Draft_Final_Rev_2.pdf
|y Published on 2021-06-07. Available in OpenAccess from 2022-06-07.
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