Probing covalency with oxidant K edge x-ray absorption spectroscopy of UF₄ and UO₂

Journal Article · 27 September 2018 · Journal of Vacuum Science and Technology A

DOI: https://doi.org/10.1116/1.5046947 · OSTI ID:1491660

Tobin, J. G. ^[1]; Yu, S. -W. ^[2]; Qiao, R. ^[3]; Yang, W. L. ^[3]; Shuh, D. K. ^[3]

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1. University of Wisconsin-Oshkosh, Oshkosh, WI (United States)
2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

There are some interesting discrepancies between what has been observed experimentally and the predictions of cluster theory. In particular, the F 1s x-ray absorption spectroscopy (XAS) of uranium tetrafluoride and the U 4d XAS branching ratio for oxidized uranium are two cases in point. Lastly, these discrepancies may be driven by the overestimation of covalency in cluster calculations.

• Research Organization: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
• Grant/Contract Number: AC52-07NA27344; AC02-05CH11231
• OSTI ID: 1491660
• Report Number(s): LLNL-JRNL--756096; 941934
• Journal Information: Journal of Vacuum Science and Technology A, Journal Name: Journal of Vacuum Science and Technology A Journal Issue: 6 Vol. 36; ISSN 0734-2101
• Publisher: American Vacuum SocietyCopyright Statement
• Country of Publication: United States
• Language: English