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- Title
Extraction of local coordination structure in a low-concentration uranyl system by XANES.
- Authors
Linjuan Zhang; Jing Zhou; Jianyong Zhang; Jing Su; Shuo Zhang; Ning Chen; Yunpeng Jia; Jiong Li; Yu Wang; Jian-Qiang Wang
- Abstract
Obtaining structural information of uranyl species at an atomic/molecular scale is a critical step to control and predict their physical and chemical properties. To obtain such information, experimental and theoretical L3-edge X-ray absorption near-edge structure (XANES) spectra of uranium were studied systematically for uranyl complexes. It was demonstrated that the bond lengths (R) in the uranyl species and relative energy positions (ΔE) of the XANES were determined as follows: ΔE1 = 168.3/R(U--Oax)² - 38.5 (for the axial plane) and ΔE2 = 428.4/R(U--Oeq)² - 37.1 (for the equatorial plane). These formulae could be used to directly extract the distances between the uranium absorber and oxygen ligand atoms in the axial and equatorial planes of uranyl ions based on the U L3-edge XANES experimental data. In addition, the relative weights were estimated for each configuration derived from the water molecule and nitrate ligand based on the obtained average equatorial coordination bond lengths in a series of uranyl nitrate complexes with progressively varied nitrate concentrations. Results obtained from XANES analysis were identical to that from extended X-ray absorption fine-structure (EXAFS) analysis. XANES analysis is applicable to ubiquitous uranyl-ligand complexes, such as the uranyl- carbonate complex. Most importantly, the XANES research method could be extended to low-concentration uranyl systems, as indicated by the results of the uranyl-amidoximate complex (~40 p.p.m. uranium). Quantitative XANES analysis, a reliable and straightforward method, provides a simplified approach applied to the structural chemistry of actinides.
- Subjects
URANYL compounds; COORDINATE covalent bond; CHEMICAL bond lengths; CHEMICAL speciation; ACTINIDE elements; LIGANDS (Chemistry); X-ray absorption near edge structure; SPECTRUM analysis
- Publication
Journal of Synchrotron Radiation, 2016, Vol 23, Issue 3, p758
- ISSN
0909-0495
- Publication type
Article
- DOI
10.1107/S1600577516001910