| A New Two-dimensional Cd(Ⅱ) Complex Assembled by 1,3,5-Benzenetricarboxylic Acid and 3-(2-Pyridyl)pyrazole |
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| 作者姓名： | 王秀艳 李秀梅 潘亚茹 刘博 周实 |
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| 基金项目： | The project was supported by the Science and Technology development plan of Jilin Province |
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| 摘 要： | A new 2D coordination polymer, {[Cd_5(BTC)_2(L)_4(H_2O)_2]_n·2H_2O}_n(1, H_3BTC = 1,3,5-benzenetricarboxylic acid, HL = 3-(2-pyridyl)pyrazole) was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction, powder XRD, IR, TGA, fluorescence spectrum and elemental analysis techniques. Complex 1 belongs to the monoclinic system, P2_(1/c) space group, with a = 8.8732(4), b = 17.5179(7), c = 17.8123(7) ?, β = 103.1830(10)°, V = 2695.77(19) ?~3 and Z = 2. It features a 2D network constructed by BTC and L ligand. In addition, we analyzed Natural Bond Orbital(NBO) by using the PBE0/LANL2DZ method built in Gaussian 09 Program. The calculation results indicated obvious covalent interactions between the coordinated atoms and Cd(Ⅱ) ion.
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