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  • Title: On the origin of low-valent uranium oxidation state.
    Author: Silva CL, Amidani L, Retegan M, Weiss S, Bazarkina EF, Graubner T, Kraus F, Kvashnina KO.
    Journal: Nat Commun; 2024 Aug 10; 15(1):6861. PubMed ID: 39127780.
    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.
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