Tris-amidoximate uranyl complexes via eta(2) binding mode coordinated in aqueous solution shown by X-ray absorption spectroscopy and density functional theory methods
文献类型：期刊论文
| 作者 | 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
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：上海应用物理研究所
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