Theoretical studies on the complexation of Eu(III) and Am(III) with HDEHP: structure, bonding nature and stability

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期刊论文

作者：

Luo, Juan;Wang, Congzhi;Lan, Jianhui;Wu, Qunyan;Zhao, Yuliang;...

通讯作者：

Nie, Changming;Shi, Weiqun

作者机构：

[Luo, Juan; Nie, Changming] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.

[Lan, Jianhui; Wang, Congzhi; Chai, Zhifang; Zhao, Yuliang; Shi, Weiqun; Wu, Qunyan; Luo, Juan] Chinese Acad Sci, Lab Nucl Energy Chem, Inst High Energy Phys, Beijing 100049, Peoples R China.

[Lan, Jianhui; Wang, Congzhi; Chai, Zhifang; Zhao, Yuliang; Shi, Weiqun; Wu, Qunyan; Luo, Juan] Chinese Acad Sci, Key Lab Biomed Effects Nanomat & Nanosafety, Inst High Energy Phys, Beijing 100049, Peoples R China.

[Chai, Zhifang] Soochow Univ, Sch Radiol & Interdisciplinary Sci RAD X, Suzhou 215123, Peoples R China.

[Chai, Zhifang] Soochow Univ, Collaborat Innovat Ctr Radiat Med Jiangsu Higher, Suzhou 215123, Peoples R China.

通讯机构：

[Nie, Changming] U

[Shi, Weiqun] C

Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.

Chinese Acad Sci, Lab Nucl Energy Chem, Inst High Energy Phys, Beijing 100049, Peoples R China.

Chinese Acad Sci, Key Lab Biomed Effects Nanomat & Nanosafety, Inst High Energy Phys, Beijing 100049, Peoples R China.

语种：

英文

关键词：

density functional theory;di-(2-ethylhexyl) phosphoric acid;actinide;lanthanide;solvent extraction

期刊：

中国科学：化学英文版

ISSN：

1674-7291

年：

2016

卷：

期：

页码：

324-331

DOI：

10.1007/s11426-015-5489-4

基金类别：

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21201166, 11275090]; Major Research Plan of Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [91426302, 91326202]; Strategic Priority Research Program of the Chinese Academy of SciencesChinese Academy of Sciences [XDA030104]; Natural Science Foundation of Hunan ProvinceNatural Science Foundation of Hunan Province [12JJ9006]; Scientific Research Fund of Hunan Provincial Education DepartmentHunan Provincial Education Department [12A116]

机构署名：

本校为第一且通讯机构

院系归属：

化学化工学院

摘要：

Separation of trivalent lanthanides (Ln(III)) and actinides (An(III)) is a key issue in the advanced spent nuclear fuel reprocessing. In the well-known trivalent actinide lanthanide separation by phosphorus reagent extraction from aqueous komplexes (TALSPEAK) process, the organophosphorus ligand HDEHP (di-(2-ethylhexyl) phosphoric acid) has been used as an efficient reagent for the partitioning of Ln(III) from An(III) with the combination of a holdback reagent in aqueous lactate buffer solution. In this work, the structural and electronic properties of Eu~(3+) and Am~(3+) complexes with HDEHP ...

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Theoretical studies on the complexation of Eu(III) and Am(III) with HDEHP: structure, bonding nature and stability

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