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Tris-amidoximate uranyl complexes via eta(2) binding mode coordinated in aqueous solution shown by X-ray absorption spectroscopy and density functional theory methods
Zhang, LJ; Qie, MY; Su, J; Zhang, S; Zhou, J; Li, J; Wang, Y; Yang, ST; Wang, SA; Li, JY; Wu, GZ; Wang, JQ
2018
Source PublicationJOURNAL OF SYNCHROTRON RADIATION
ISSN1600-5775
Volume25Pages:514-522
Subtype期刊论文
AbstractThe present study sheds some light on the long-standing debate concerning the coordination properties between uranyl ions and the amidoxime ligand, which is a key ingredient for achieving efficient extraction of uranium. Using X-ray absorption fine structure combined with theoretical simulation methods, the binding mode and bonding nature of a uranyl-amidoxime complex in aqueous solution were determined for the first time. The results show that in a highly concentrated amidoxime solution the preferred binding mode between UO22+ and the amidoxime ligand is eta(2) coordination with tris-amidoximate species. In such a uranyl-amidoximate complex with eta(2) binding motif, strong covalent interaction and orbital hybridization between U 5f/6d and (N, O) 2p should be responsible for the excellent binding ability of the amidoximate ligand to uranyl. The study was performed directly in aqueous solution to avoid the possible binding mode differences caused by crystallization of a single-crystal sample. This work also is an example of the simultaneous study of local structure and electronic structure in solution systems using combined diagnostic tools.
KeywordUranium Adsorption Molecular-energies Seawater Extraction Adsorbent Exafs Perchlorate Recovery Behavior Spectra
DOI10.1107/S160057751800067X
Indexed BySCI
Language英语
WOS IDWOS:000426315400026
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/29198
Collection中科院上海应用物理研究所2011-2018年
Affiliation1.Zhang, LJ
2.Qie, MY
3.Su, J
4.Zhang, S
5.Zhou, J
6.Li, J
7.Wang, Y
8.Yang, ST
9.Wang, SA
10.Li, JY
11.Wu, GZ
12.Wang, JQ
Recommended Citation
GB/T 7714
Zhang, LJ,Qie, MY,Su, J,et al. Tris-amidoximate uranyl complexes via eta(2) binding mode coordinated in aqueous solution shown by X-ray absorption spectroscopy and density functional theory methods[J]. JOURNAL OF SYNCHROTRON RADIATION,2018,25:514-522.
APA Zhang, LJ.,Qie, MY.,Su, J.,Zhang, S.,Zhou, J.,...&Wang, JQ.(2018).Tris-amidoximate uranyl complexes via eta(2) binding mode coordinated in aqueous solution shown by X-ray absorption spectroscopy and density functional theory methods.JOURNAL OF SYNCHROTRON RADIATION,25,514-522.
MLA Zhang, LJ,et al."Tris-amidoximate uranyl complexes via eta(2) binding mode coordinated in aqueous solution shown by X-ray absorption spectroscopy and density functional theory methods".JOURNAL OF SYNCHROTRON RADIATION 25(2018):514-522.
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