Covalency between the uranyl ion and di­thio­phosphinate by sulfur K-edge X-ray absorption spectroscopy and density functional theory

Zhang, Y.; Duan, W.; Wang, Q.; Zheng, L.; Wang, J.; Chen, J.; Sun, T.

doi:10.1107/S160057752101198X

Journal of Synchrotron Radiation Journal of
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Figure 5
The truncated orbitals energy levels for UO₂(S₂PR₂)₂(EtOH) calculated at the B3LYP/TZ2P level. The red and blue lines denote the orbitals containing primarily U 5f and 6d character, respectively.

JOURNAL OF
SYNCHROTRON
RADIATION

ISSN: 1600-5775

Volume 29| Part 1| January 2022| Pages 11-20

https://doi.org/10.1107/S160057752101198X

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