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Insight into selective separation of Am(III)/Eu(III) with novel ligands using (1,10-phenanthroline-2,9-diyl)bis(indolin-1-ylmethanones) as a new skeleton: A scalar relativistic DFT study

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成果类型:
期刊论文
作者:
Ouyang, Wen-Jun;Guo, Meng-Zhen;Wang, Yun;Kong, Xiang-He;Xiao, Xi-Lin;...
通讯作者:
Nie, Chang-Ming;Peng, GW
作者机构:
[Nie, Chang-Ming; Peng, Guo-Wen; Peng, GW; Nie, CM] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
Key Lab Hunan Prov Design & Applicat Nat Actinide, Hengyang 421001, Peoples R China.
通讯机构:
[Peng, GW ; Nie, CM] U
Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
语种:
英文
关键词:
Am(III)/Eu(III);Ligands;IDL-DAPhen skeleton;Selective separation;DFT
期刊:
Journal of Molecular Liquids
ISSN:
0167-7322
年:
2024
卷:
397
页码:
124124
基金类别:
CRediT authorship contribution statement Wen-Jun Ouyang: Conceptualization, Formal analysis, Investigation, Methodology, Visualization, Writing – original draft. Meng-Zhen Guo: Investigation, Methodology, Validation. Yun Wang: Conceptualization, Validation. Xiang-He Kong: Data curation. Xi-Lin Xiao: Supervision. Chang-Ming Nie: Conceptualization, acquisition, Resources, Supervision, Writing – review & editing. Guo-Wen Peng: acquisition, Resources.
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:
There are the similar physical and chemical properties between the trivalent actinides (An(III)) and the lan-thanides (Ln(III)), which makes the separation process very difficult for nuclear waste reprocessing. Designing efficient ligands with the strong ability to separate An(III)/Ln(III) is one of the ways to solve the problem, and various ligands with 1,10-Phenanthroline as the skeleton have become a hotspot in recent years. Herein we designed a series of novel ligands using (1,10-phenanthroline-2,9-diyl)bis(indolin-1-ylmethanones)(IDL- DAPhen) as a new skeleton. Using scalar relativistic d...

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