On the origin of low-valent uranium oxidation state

C. L. Silva, L. Amidani (), M. Retegan, S. Weiss, E. F. Bazarkina, T. Graubner, F. Kraus and K. O. Kvashnina ()
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C. L. Silva: CS40220
L. Amidani: CS40220
M. Retegan: CS40220
S. Weiss: Institute of Resource Ecology
E. F. Bazarkina: CS40220
T. Graubner: Philipps-Universität Marburg
F. Kraus: Philipps-Universität Marburg
K. O. Kvashnina: CS40220

Nature Communications, 2024, vol. 15, issue 1, 1-10

Abstract: Abstract The significant interest in actinide bonding has recently focused on novel compounds with exotic oxidation states. However, the difficulty in obtaining relevant high-quality experimental data, particularly for low-valent actinide compounds, prevents a deeper understanding of 5f systems. Here we show X-ray absorption near-edge structure (XANES) measurements in the high-energy resolution fluorescence detection (HERFD) mode at the uranium M4 edge for the UIII and UIV halides, namely UX3 and UX4 (X = F, Cl, Br, I). The spectral shapes of these two series exhibit clear differences, which we explain using electronic structure calculations of the 3d-4f resonant inelastic X-ray scattering (RIXS) process. To understand the changes observed, we implemented crystal field models with ab initio derived parameters and investigated the effect of reducing different contributions to the electron-electron interactions involved in the RIXS process. Our analysis shows that the electron-electron interactions weaken as the ligand changes from I to F, indicative of a decrease in ionicity both along and between the UX3 and UX4 halide series.

Date: 2024
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DOI: 10.1038/s41467-024-50924-7

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