Citation: Yu-Xing TAN, Xiao-Long NAN, Yan-Liang TAN, Zhi-Jian ZHANG, Wu-Jiu JIANG. Self-assembly Syntheses, Crystal Structures and Quantum Chemistry of Two UO₂²⁺ Complexes[J]. Chinese Journal of Structural Chemistry, ;2021, 40(12): 1673-1679. doi: 10.14102/j.cnki.0254-5861.2011-3223 shu

Self-assembly Syntheses, Crystal Structures and Quantum Chemistry of Two UO₂²⁺ Complexes

a.
Key Laboratory of Functional Metal-organic Compounds of Hunan Province, Key Laboratory of Functional Organometallic Materials, University of Hunan Province, Hunan Provincial Engineering Research Center for Monitoring and Treatment of Heavy Metals Pollution in the Upper Reaches of Xiangjiang River, College of Chemistry and Materials Science, Hengyang Normal University, Hengyang, Hunan 421008, China
b.
Nuclear Bureau of Hunan Province Nuclear Industry Brigade 306, Hengyang, Hunan 421008, China
c.
Hunan Provincial Engineering Research Center for Uranium Mineral Exploration Technology, College of Physics and Electronic Engineering, Hengyang Normal University, Hengyang, Hunan 421002, China

Corresponding author: Yu-Xing TAN, tanyuxing@hynu.edu.cn
Received Date: 19 April 2021
Accepted Date: 24 June 2021

Fund Project: the Foundation of Hunan Provincial Engineering Research Center for Uranium Exploration Technology YK20K03

Figures(6)

Two UO₂²⁺ complexes {[C₅H₄N(O)C=N-N=C(Ph)-(Ph)C=N-N=C(O)-C₅H₄N]₂UO₂(CH₃OH)} (Ⅰ) and {[C₅H₄N(O)C=N-N=C(Ph)-(Ph)C=N-N=C(O)-C₅H₄N]₂UO₂(C₅H₄N(O)C=N-NH₂)} (Ⅱ) were synthesized and characterized by IR, elemental analysis and thermal stability analysis, and the crystal structures were determined by X-ray diffraction. The crystal of complex Ⅰ belongs to monoclinic system, space group P2₁/n with a = 11.7678(4), b = 16.9667(6), c = 14.3051(5) Å, β = 98.918(3)°, Z = 4, V = 2821.64(17) Å³, D_c = 1.837 Mg·m^–3, μ(MoKα) = 5.805 mm^–1, F(000) = 1504, R = 0.0346 and wR = 0.0688. The crystal of complex Ⅱ is of triclinic system, space group P\begin{document}$ \overline 1 $\end{document} with a = 11.6417(5), b = 11.7297(5), c = 14.2197(5) Å, α = 71.697(4)°, β = 86.020(3)°, γ = 71.572(4)°, Z = 2, V = 1748.02(12) Å³, D_c = 1.742 Mg·m^–3, μ(MoKα) = 4.704 mm^–1, F(000) = 894, R = 0.0283 and wR = 0.0537. The U1 is a seven-coordinate pentagonal bipyramidal configuration in Ⅰ and an eight-coordinate hexagonal dipyramidal configuration in Ⅱ. The thermal stability and quantum chemical calculations of Ⅰ and Ⅱ were also investigated.
- UO₂²⁺ complexes,
- synthesis,
- crystal structure,
- quantum chemistry
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

Self-assembly Syntheses, Crystal Structures and Quantum Chemistry of Two UO22+ Complexes

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通讯作者: 陈斌, bchen63@163.com

Self-assembly Syntheses, Crystal Structures and Quantum Chemistry of Two UO₂²⁺ Complexes