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Computer Simulation Prediction of the Coordination Binding Ability of N-Hybridized perhydroxycalix[4]arene to Uranyl Ions

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成果类型:
期刊论文
作者:
Lan, Wenbo;Wang, Xiaofeng;He, Liping;Meng, Yanbin;Liu, Yu;...
通讯作者:
Wang, Xiaofeng(wangxf20161123@126.com)
作者机构:
[Lan, Wenbo; Wang, Xiaofeng; He, Liping; Liu, Yu; Tan, Bin; Chen, Cuimei; He, Ying; Wang, Liying] School of Public Health, Xiangnan University, Hunan, Chenzhou
423000, China
[Meng, Yanbin] School of Basic Medical, Xiangnan University, Hunan, Chenzhou
School of Chemistry and Chemical Engineering, University of South China, 421000, China
Hengyang Water Investment Group Co. Ltd., Hunan, Hengyang
语种:
英文
期刊:
Proceedings of SPIE - The International Society for Optical Engineering
ISSN:
0277-786X
年:
2022
卷:
12306
机构署名:
本校为其他机构
院系归属:
化学化工学院
摘要:
In order to improve the water solubility of perhydroxycalix[4]arenes, computer simulation prediction was used to explore the gradual substitution of methylene groups(-CH2-) by imino groups(-NH-) in perhydroxycalix[4]arenes. The structural characteristics and spectroscopic properties of the complexes obtained by forming new ligands combined with uranyl ions were studied. And the recognition ability and binding force of the uranyl ion of the new complex formed after being replaced. The chemical stability of each complex was explored, and it was f...

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