Publikationsrepositorium - Helmholtz-Zentrum Dresden-Rossendorf
1 PublikationProbing the local coordination of hexavalent uranium and the splitting of 5f orbitals induced by chemical bonding.
Amidani, L.; Retegan, M.; Volkova, A.; Popa, K.; Martin, P. M.; Kvashnina, K.
Abstract
We report here the first detailed experimental and theoretical investigation of hexavalent uranium in various local configurations with high-energy-resolution fluorescence-detected X-ray absorption near-edge structure at the M4 edge. We demonstrate the pronounced sensitivity of the technique to the arrangement of atoms around the absorber and provide a detailed theoretical interpretation revealing the nature of spectral features. We show that for all local configuration analyzed, the main peak corresponds to non-bonding 5f orbitals, and the highest energy peak corresponds to anti-bonding 5f orbitals. Our findings are in agreement with the accepted interpretation of uranyl spectral features and embed the latter in the broader field of view where the spectra of a larger variety of U6+-containing samples are interpreted on the same theoretical ground.
-
Analytical Chemistry 60(2021)21, 16286-16293
DOI: 10.1021/acs.inorgchem.1c02107
Cited 10 times in Scopus
Downloads
- Final Draft PDF 1,2 MB Zweitveröffentlichung
Permalink: https://www.hzdr.de/publications/Publ-32849