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Computational insight into asymmetric uranyl-salophen coordinated with , -unsaturated aldehydes and ketones

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成果类型:
期刊论文
作者:
Lan, Wen-Bo;Wang, Xiao-Feng*;He, Li-Ping;Meng, Yan-Bin;Li, Jun;...
通讯作者:
Wang, Xiao-Feng;Nie, Chang-Ming
作者机构:
[Li, Jun; Lan, Wen-Bo; Meng, Yan-Bin; He, Li-Ping; Wang, Xiao-Feng] Xiangnan Univ, Sch Publ Hlth, Chenzhou 423000, Hunan, Peoples R China.
[Nie, Chang-Ming; Lan, Wen-Bo] Univ South China, Sch Chem & Chem Engn, Hengyang, Peoples R China.
[Qiu, Bin] Chenzhou City Ctr Dis Control & Prevent, Chenzhou 423000, Hunan, Peoples R China.
通讯机构:
[Wang, Xiao-Feng] X
[Nie, Chang-Ming] U
Xiangnan Univ, Sch Publ Hlth, Chenzhou 423000, Hunan, Peoples R China.
Univ South China, Sch Chem & Chem Engn, Hengyang, Peoples R China.
语种:
英文
关键词:
alpha,beta-unsaturated aldehydes and ketones;asymmetric uranyl-salophen;coordination
期刊:
Applied Organometallic Chemistry
ISSN:
0268-2605
年:
2018
卷:
32
期:
3
页码:
e4137-
基金类别:
Opening Topic Fund Project of Hunan Province University Innovation Platform, China [14K089, 14 K089]; Scientific Research Fund of Hunan Provincial Education Department, ChinaHunan Provincial Education Department [17C1473]; Chenzhou city science and technology project in Hunan Province, China [CZ2013089]; Chenzhou city science and technology [CZ2013089]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [11275090]
机构署名:
本校为通讯机构
院系归属:
化学化工学院
摘要:
The study of the catalytic activity and activation mechanism of asymmetric uranyl-salophens with α, β-unsaturated aldehydes or α, β-unsaturated ketones, is a research hotspot. In this paper, the complexes of the uranyl–salophen(U-S) modified by unilateral benzene, coordinated with cyclohexenone, cyclopentenone and acrolein, were investigated using density functional theory calculations at the level of B3LYP/6-311G(d, p) basis set. The results showed that the uranyl-salophen(U-S) weakened the large π bond between C=C and C=O of the α, β-...

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