TY  - JOUR
AU  - Langer, Eike M.
AU  - Kegler, Philip
AU  - Kowalski, Piotr M.
AU  - Wang, Shuao
AU  - Alekseev, Evgeny V.
TI  - Achieving and Stabilizing Uranyl Bending via Physical Pressure
JO  - Inorganic chemistry
VL  - 60
IS  - 12
SN  - 0020-1669
CY  - Washington, DC
PB  - American Chemical Society
M1  - FZJ-2022-00125
SP  - 8419 - 8422
PY  - 2021
AB  - 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.
LB  - PUB:(DE-HGF)16
C6  - 34096717
UR  - <Go to ISI:>//WOS:000664576700009
DO  - DOI:10.1021/acs.inorgchem.1c00644
UR  - https://juser.fz-juelich.de/record/904795
ER  -