Theoretical Insights on the Interaction of Uranium with Amidoxime and Carboxyl Groups
文献类型：期刊论文
| 作者 | Wang CZ(王聪芝) ; Lan JH(蓝建慧); Wu QY(吴群燕); Wang, CZ; Lan, JH; Wu, QY; Luo, Q; Zhao, YL; Wang, XK; Chai, ZF
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| 刊名 | INORGANIC CHEMISTRY
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| 出版日期 | 2014 |
| 卷号 | 53期号:18页码:9466-9476 |
| 英文摘要 | Recovery of uranium from seawater is extremely challenging but important for the persistent development of nuclear energy, and thus exploring the coordination structures and bonding nature of uranyl complexes becomes essential for designing highly efficient uranium adsorbents. In this work, the interactions of uranium and a series of adsorbents with various well-known functional groups including amidoximate (AO(-)), carboxyl (Ac-), glutarimidedioximate (HA(-)), and bifunctional AO(-))/Ac-, HA(-))/Ac-) on different alkyl chains (R'=CH3, R ''=C13H26) were systematically studied by quantum chemical calculations. For all the uranyl complexes, the monodentate and eta(2) coordination are the main binding modes for the AO(-) groups, while Ac- groups act as monodentate and bidentate ligands. Amidoximes can also form cyclic imide dioximes (H(2)A), which coordinate to UO22+ as tridentate ligands. Kinetic analysis of the model displacement reaction confirms the rate-determining step in the extraction process, that is, the complexing of uranyl by amidoxime group coupled with the dissociation of the carbonate group from the uranyl tricarbonate complex [UO2(CO3)(3)](4-). Complexing species with AO(-) groups show higher binding energies than the analogues with Ac- groups. However, the obtained uranyl complexes with Ac- seem to be more favorable according to reactions with [UO2(CO3)(3)](4-) as reactant, which may be due to the higher stability of HAO compared to HAc. This is also the reason that species with mixed functional group AO(-)/Ac- are more stable than those with monoligand. Thus, as reported in the literature, the adsorbability of uranium can be improved by the synergistic effects of amidoxime and carboxyl groups. |
| 学科主题 | Chemistry |
| 收录类别 | SCI |
| WOS记录号 | WOS:000341747900005 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/225035]  |
| 专题 | 高能物理研究所_院士 高能物理研究所_多学科研究中心 |
| 推荐引用方式 GB/T 7714 | Wang CZ,Lan JH,Wu QY,et al. Theoretical Insights on the Interaction of Uranium with Amidoxime and Carboxyl Groups[J]. INORGANIC CHEMISTRY,2014,53(18):9466-9476. |
| APA | 王聪芝.,蓝建慧.,吴群燕.,Wang, CZ.,Lan, JH.,...&石伟群.(2014).Theoretical Insights on the Interaction of Uranium with Amidoxime and Carboxyl Groups.INORGANIC CHEMISTRY,53(18),9466-9476. |
| MLA | 王聪芝,et al."Theoretical Insights on the Interaction of Uranium with Amidoxime and Carboxyl Groups".INORGANIC CHEMISTRY 53.18(2014):9466-9476. |
入库方式： OAI收割
来源：高能物理研究所
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