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DOE OSTI · 1597220

Probing U 5f Covalency in Uranium Compounds through Oxidant 2p Bonding

Tobin, James G.·Yu, Sung-Woo·Shuh, David K.·Sokaras, Dimosthenis
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Abstract

Oxidant K (1s) X-ray Emission Spectroscopy (XES) was used to investigate covalency in the Oxidant 2p – Uranium 5f bonds of Uranium Dioxide (UO 2 ) and Uranium Tetrafluoride (UF 4 ). It will be shown that the width of the 2p Occupied Density of States (ODOS), determined from the XES measurements, correlates with the increased 5f covalency of UO 2 and the increased ionicity of UF 4 . Analysis of the XES results includes comparison to spectral simulations, cluster calculations and peak fitting, demonstrating the potential of the oxidant XES measurements as a probe of 5f covalency.

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Tobin, James G., Yu, Sung-Woo, Shuh, David K., Sokaras, Dimosthenis. 2020-02-15. Probing U 5f Covalency in Uranium Compounds through Oxidant 2p Bonding. https://doi.org/10.7566/jpsj.89.024711

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