Tris-amidoximate uranyl complexes via eta(2) binding mode coordinated in aqueous solution shown by X-ray absorption spectroscopy and density functional theory methods

doi:10.1107/S160057751800067X

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	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
刊名	JOURNAL OF SYNCHROTRON RADIATION
	2018
卷号	25 页码:514-522
关键词	Uranium Adsorption Molecular-energies Seawater Extraction Adsorbent Exafs Perchlorate Recovery Behavior Spectra
ISSN号	1600-5775
DOI	10.1107/S160057751800067X
文献子类	期刊论文
英文摘要	The 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.
语种	英语
WOS记录号	WOS:000426315400026
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/29198]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位	1.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
推荐引用方式 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.