Citation:
GUO Rui, LIU Guang, ZHANG Yang, LI Chao-Yang, QI Jing-Yu, LIU Xuan-Wen, SU Na. Synthesis, Crystal Structure, Fluorescent Property and DFT Study of a Novel 1D Polymer[Zn(HMICD)(bpy)]n·2nH2O[J]. Chinese Journal of Structural Chemistry,
;2016, 35(9): 1420-1426.
doi:
10.14102/j.cnki.0254-5861.2011-1140
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A new one-dimensional(1D) polymer,[Zn(HMIDC)(bpy)]n·2nH2O(1, H3MIDC=2-methyl-imidazole-4,5-dicarboxylic acid, bpy=2,2'-bipyridine), has been solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy, UV-vis spectrum and fluorescence measurements. Complex 1 crystallizes in orthorhombic system, space group Pbca with a=14.404(3), b=8.6900(17), c=26.570(5)Å, V=3325.8(11)Å3, Dc=1.700 g/cm3, Mr=425.70, Z=8, F(000)=1744, μ=1.522 mm-1, the final R=0.0421 and wR=0.1018. The Zn(Ⅱ) ion is six-coordinated by O and N atoms from one HMIDC ligand, two O atoms from another HMIDC ligand and two N atoms from the bpy ligand. The HMIDC anion, which acts as a tetradentate ligand, chelates two Zn ions to form a one-dimensional(1D) zigzag chain structure. We analyzed the electronic structure and orbital energies of complex 1 by DFT methods, and the results are consistent with the UV-vis spectrum. And we also discussed the luminescent mechanism of complex 1 in detail.
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