Towards the Quantification of 5f Delocalization

By using M4,5 X-ray Emission Spectroscopy (XES) in the tender X-ray regime, it is possible to quantify 5f delocalization in the actinides. Previous analyses, utilizing the Branching Ratio (BR) in the N4,5 X-ray Absorption Spectroscopy (XAS), could not discriminate between the cases of localized n =...

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Published inApplied sciences Vol. 10; no. 8; p. 2918
Main Authors Tobin, J. G., Nowak, S., Yu, S.-W., Alonso-Mori, R., Kroll, T., Nordlund, D., Weng, T.-C., Sokaras, D.
Format Journal Article
LanguageEnglish
Published Basel MDPI AG 23.04.2020
MDPI
Subjects
Absorption spectroscopy
Actinides
electronic structure
Emission spectroscopy
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
MATERIALS SCIENCE
Spectrum analysis
Uranium
X ray absorption
X-ray absorption spectroscopy
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Summary:By using M4,5 X-ray Emission Spectroscopy (XES) in the tender X-ray regime, it is possible to quantify 5f delocalization in the actinides. Previous analyses, utilizing the Branching Ratio (BR) in the N4,5 X-ray Absorption Spectroscopy (XAS), could not discriminate between the cases of localized n = 2 and delocalized n = 3, in uranium materials, where n is the number of 5f electrons on the U entity. Here, it is shown that, by employing the ubiquitous 6p → 3d XES as a point of normalization, the localized n = 2 and delocalized n = 3 cases can be easily distinguished and quantified.
Bibliography:USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office
USDOE Office of Science (SC), Basic Energy Sciences (BES)
AC02-76SF00515; AC02-05CH11231; AC52-07NA27344
USDOE National Nuclear Security Administration (NNSA)
LLNL-JRNL-811150
ISSN:2076-3417
2076-3417
DOI:10.3390/app10082918