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000904795 1001_ $$0P:(DE-Juel1)159447$$aLanger, Eike M.$$b0$$ufzj
000904795 245__ $$aAchieving and Stabilizing Uranyl Bending via Physical Pressure
000904795 260__ $$aWashington, DC$$bAmerican Chemical Society$$c2021
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000904795 520__ $$aApplying physical pressure in the uranyl–sulfate system has resulted in the formation of the first purely inorganic uranyl oxo-salt phase with a considerable uranyl bend: Na4[(UO2)(SO4)3]. In addition to a strong bend of the typically almost linear O═U═O, the typically equatorial plane is broken up by two out-of-plane oxygen positions. Computational investigations show the origin of the bending to lie in the applied physical pressure and not in the electronic influence or steric hindrance. The increase in pressure onto the system has been shown to increase uranyl bending. Furthermore, the phase formation is compared with a reference phase of a similar structure without uranyl bending, and a transition pressure of 2.5 GPa is predicted, which is well in agreement with the experimental results.
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000904795 7001_ $$0P:(DE-Juel1)159378$$aKegler, Philip$$b1$$ufzj
000904795 7001_ $$0P:(DE-Juel1)137024$$aKowalski, Piotr M.$$b2$$ufzj
000904795 7001_ $$00000-0002-1526-1102$$aWang, Shuao$$b3
000904795 7001_ $$0P:(DE-Juel1)144426$$aAlekseev, Evgeny V.$$b4$$eCorresponding author
000904795 773__ $$0PERI:(DE-600)1484438-2$$a10.1021/acs.inorgchem.1c00644$$gVol. 60, no. 12, p. 8419 - 8422$$n12$$p8419 - 8422$$tInorganic chemistry$$v60$$x0020-1669$$y2021
000904795 8564_ $$uhttps://juser.fz-juelich.de/record/904795/files/Bent%20USO4_Draft_Final_Rev_2.pdf$$yPublished on 2021-06-07. Available in OpenAccess from 2022-06-07.
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