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

  • 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)} () and {[C5H4N(O)C=N-N=C(Ph)-(Ph)C=N-N=C(O)-C5H4N]2UO2(C5H4N(O)C=N-NH2)} () 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 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, Dc = 1.837 Mg·m–3, μ(Mo) = 5.805 mm–1, F(000) = 1504, R = 0.0346 and wR = 0.0688. The crystal of complex 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, Dc = 1.742 Mg·m–3, μ(Mo) = 4.704 mm–1, F(000) = 894, R = 0.0283 and wR = 0.0537. The U1 is a seven-coordinate pentagonal bipyramidal configuration in and an eight-coordinate hexagonal dipyramidal configuration in . The thermal stability and quantum chemical calculations of and were also investigated.
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