作者：孔治国; 韩倩; 张璐; 刘东雪; 胡波; 王秀...zinccoordinationpolymercrystalstructurephotoluminescencephotocatalysis
摘要：A new Cd(Ⅱ) coordination polymer, [Cd(L)2(H2O)]n(1), has been hydrothermally synthesized by using 1-(1 H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol(HL),(3-(4-(carboxymethoxy)phenyl)acrylic acid and Cd(NO3)·4 H2O. It crystallizes in monoclinic, space group P21/c with a = 19.41(2), b = 11.078(12), c = 20.09(2)A, β = 116.824(17)°, V = 3855(7)A^3, Z = 4, C46H28CdN8O3, Mr = 853.17, Dc = 1.470 g/cm^3, F(000) = 1728, μ(Mo Ka) = 0.621 mm^-1, R = 0.0338 and wR = 0.0890. 1 shows a one-dimensional(1D) zigzag chain structure. The neighboring chains are extended into a two-dimensional(2D) layer structure by π-π interactions between adjacent L ligands. In addition, Natural Bond Orbital(NBO) analysis was performed by the B3LYP/LANL2DZ method in Gaussian 09 Program. The calculation results show the obvious covalent interaction between the coordinated atoms and Cd(Ⅱ) ion.
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