IHEP OpenIR  > 院士
Theoretical Insights on the Interaction of Uranium with Amidoxime and Carboxyl Groups
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; Shi, WQ; Zhao YL(赵宇亮); Chai ZF(柴之芳); Shi WQ(石伟群)
2014
发表期刊INORGANIC CHEMISTRY
卷号53期号:18页码:9466-9476
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.
学科领域Chemistry
DOI10.1021/ic500202g
收录类别SCI
WOS记录号WOS:000341747900005
引用统计
被引频次:41[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/225035
专题院士
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.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
10975.pdf(3942KB)期刊论文作者接受稿限制开放CC BY-NC-SA请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[王聪芝]的文章
[蓝建慧]的文章
[吴群燕]的文章
百度学术
百度学术中相似的文章
[王聪芝]的文章
[蓝建慧]的文章
[吴群燕]的文章
必应学术
必应学术中相似的文章
[王聪芝]的文章
[蓝建慧]的文章
[吴群燕]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。