Extraction of local coordination structure in a low-concentration uranyl system by XANES
Zhang, LJ; Zhou, J; Zhang, JY; Su, J; Zhang, S; Chen, N; Jia, YP; Li, J; Wang, Y; Wang, JQ; Wang, JQ (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
2016
发表期刊JOURNAL OF SYNCHROTRON RADIATION
ISSN1600-5775
卷号23期号:-页码:758—768
文章类型期刊文献
摘要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 L-3-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 (Delta E) of the XANES were determined as follows: Delta E-1 = 168.3/R(U-O-ax)(2) - 38.5 (for the axial plane) and Delta E-2 = 428.4/R(U-O-eq)(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 L-3-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 uranylcarbonate 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 (similar to 40 p.p.m. uranium). Quantitative XANES analysis, a reliable and straightforward method, provides a simplified approach applied to the structural chemistry of actinides.
关键词X-ray-absorption Near-edge Structure Fine-structure Aqueous-solution Electronic-structure Ionic Liquids K-xanes Spectroscopy Uranium Spectra
DOI10.1107/S1600577516001910
收录类别SCI
语种英语
WOS记录号WOS:000375146200015
引用统计
被引频次:7[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/25723
专题中科院上海应用物理研究所2011-2018年
通讯作者Zhang, LJ; Wang, JQ (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
推荐引用方式
GB/T 7714
Zhang, LJ,Zhou, J,Zhang, JY,et al. Extraction of local coordination structure in a low-concentration uranyl system by XANES[J]. JOURNAL OF SYNCHROTRON RADIATION,2016,23(-):758—768.
APA Zhang, LJ.,Zhou, J.,Zhang, JY.,Su, J.,Zhang, S.,...&Wang, JQ .(2016).Extraction of local coordination structure in a low-concentration uranyl system by XANES.JOURNAL OF SYNCHROTRON RADIATION,23(-),758—768.
MLA Zhang, LJ,et al."Extraction of local coordination structure in a low-concentration uranyl system by XANES".JOURNAL OF SYNCHROTRON RADIATION 23.-(2016):758—768.
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