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 shu

Synthesis, Crystal Structure, Fluorescent Property and DFT Study of a Novel 1D Polymer[Zn(HMICD)(bpy)]_n·2nH₂O

1.
Northeastern University at Qinhuangdao BRANCH, Qinhuangdao, Hebei 066004, China

Received Date: 19 January 2016

Fund Project: Supported by Fundamental Research Foundation of Central Universities(No.142304007) Basic Key Program of Applied Basic Research of Science and Technology Commission Foundation of Hebei Province(No.15961005D) Natural Science Foundation of Liaoning Province(No.2015020665) (No.142304007)

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, D_c=1.700 g/cm³, M_r=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.
- 2-methyl-imidazole-4,5-dicarboxylic acid,
- solvothermal synthesis,
- 1D structure,
- DFT,
- fluorescence properties
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