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Theoretical investigation into coordination and selectivity of uranyl-unilateral benzotriazole salophens (X = O/S) for R/S-triadimefons

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成果类型:
期刊论文
作者:
Sun, Wei-Zhen;Dai, Lin-Lin;Kong, Xiang-He;Mao, Yu;Wu, Zhi-Lin;...
通讯作者:
Nie, Chang-Ming
作者机构:
[Liao, Li-Fu; Nie, Chang-Ming; Sun, Wei-Zhen; Wu, Zhi-Lin; Xiao, Xi-Lin; Kong, Xiang-He; Dai, Lin-Lin; Mao, Yu] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
[Liao, Li-Fu; Nie, Chang-Ming; Sun, Wei-Zhen; Xiao, Xi-Lin; Dai, Lin-Lin] Key Lab Hunan Prov Design & Applicat Nat Actinide, Hengyang 421001, Peoples R China.
通讯机构:
[Nie, Chang-Ming] U
Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
语种:
英文
关键词:
coordination;enantioselectivity recognition;R/S-triadimefons;uranyl-unilateral benzotriazole salophen
期刊:
Applied Organometallic Chemistry
ISSN:
0268-2605
年:
2020
卷:
34
期:
4
页码:
e5486-
基金类别:
This work was supported by the National Natural Science Foundation of China (No: 11275090, 11475079) and the Hunan Provincial Innovation Foundation for Postgraduate (grant number CX20190712). The computational work was supported by the HPC Center of University of South China.
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:
The design of new uranyl-ligands (uranyl-Ls) is of great significance for the separation and utilization of uranium. In this paper, the triazole group was introduced into uranyl-salophen (uranyl-S) to form new asymmetric uranyl-unilateral benzotriazole salophen (uranyl-UBS); we further replaced two oxygen atoms of uranyl-UBS with two sulfur atoms to generate uranyl-unilateral benzotriazole thio-salophen (uranyl-UBTS) as a new receptor. Then, we comprehensively explored coordination models of uranyl-UBS and uranyl-UBTS with R/S-triadimefons (R/S...

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