Citation: Song-Xia WANG, Sa-Sa WANG, Xiao-Yuan WU, Wen-Bin YANG, Can-Zhong LU. Two Polyoxometalate-based Host-guest Compounds: Synthesis, Crystal Structure and Catalytic Performance[J]. Chinese Journal of Structural Chemistry, ;2021, 40(12): 1655-1660. doi: 10.14102/j.cnki.0254-5861.2011-3226 shu

Two Polyoxometalate-based Host-guest Compounds: Synthesis, Crystal Structure and Catalytic Performance

  • Corresponding author: Can-Zhong LU, czlu@fjirsm.ac.cn
  • Received Date: 19 April 2021
    Accepted Date: 11 June 2021

    Fund Project: the Key Research Program of Frontier Science, CAS QYZDJ-SSW-SLH033the Strategic Priority Research Program of the Chinese Academy of Sciences XDB20000000the National Natural Science Foundation of China 21773247the National Natural Science Foundation of China 21521061the National Natural Science Foundation of China 21875252the National Natural Science Foundation of China 52073286

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  • Two polyoxometalate-based host-guest compounds, (HL1)2(HPW12O40)·~11H2O (1), (HL2)3(PW12O40)·3H2O (2) (L1 = guanine, L2 = 2-(1H-1, 2, 4-triazol-3-yl)pyridine), were synthesized under hydrothermal conditions and characterized by EA, PXRD, TG, FT-IR and X-ray single-crystal diffraction. Compound 1 crystallizes in trigonal space group P-3 with a = 18.2917(5), b = 18.2917(5), c = 13.5441(5) Å, V = 3924.5(3) Å3, Z = 3, Mr = 3383.26 g/mol, ρcalc = 4.036 g/cm3, F(000) = 4137, μ = 48.532 mm–1, GOOF = 1.062, the final R = 0.0713 and wR = 0.1865 for 9037 observed reflections with I > 2σ(I). Compound 2 crystallizes in trigonal space group R-3 with a = 19.0017(6), b = 19.0017(6), c = 25.6361(9) Å, V = 8016.2(6) Å3, Z = 6, Mr = 3372.45 g/mol, ρcalc = 4.188 g/cm, F(000) = 8886, μ = 47.644 mm–1, GOOF = 1.077, the final R = 0.0380 and wR = 0.0976 for 5904 observed reflections with I > 2σ(I). These two compounds can catalyze selective oxidation of aniline with H2O2 as the oxidant. Under optimal conditions, the conversion of aniline with compound 1 can reach up to 91.25%, and the selectivity of nitrosobenzene is 78.81%.
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