Achieving and Stabilizing Uranyl Bending via Physical Pressure.
Achieving and Stabilizing Uranyl Bending via Physical Pressure.
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通过物理压力实现并稳定铀酰弯曲
DOI：
10.1021/acs.inorgchem.1c00644
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发表时间：
2021
影响因子：
4.6
通讯作者：
Alekseev
中科院分区：
文献类型：
--
作者：
Langer E;Kegler;Alekseev
在铀酰硫酸盐体系中施加物理压力，导致形成第一个具有相当大的铀酰弯曲的纯无机铀酰氧代盐相：Na 4 [（UO 2）（SO 4）3]。除了典型的几乎线性的O U O的强弯曲之外，典型的赤道面被两个面外氧位置打破。计算研究表明，弯曲的起源在于所施加的物理压力，而不是在电子的影响或空间位阻。已经表明，系统上的压力增加会增加铀酰弯曲。此外，相的形成进行了比较，一个类似的结构，没有铀酰弯曲的参考相，并预测的转变压力为2.5 GPa，这是与实验结果吻合得很好。
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.