Chinese Journal of Applied Chemistry

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Hydrothermal Synthesis, Structure and Bioactivity of Lamellar Cu(DMBC)2(H2O)2(DMBC:2-(3,5-Dimethylphenoxy)acetic Acid) Complex

ZHANG Youming, XIE Yongqiang, YAO Hong, GENG Zhiyuan, LIU Jianglong, HE Xiaoxuan, WEI Taibao*   

  1. (Key Laboratory of Eco-Environment-Related Polymer Materials,Ministry of Education of China,
    Key Laboratory of Polymer Materials of Gansu Province,College of Chemistry and
    Chemical Engineering,Northwest Normal University,Lanzhou 730070,China)
  • Received:2012-11-07 Revised:2013-03-09 Published:2013-09-10 Online:2013-09-10
  • Contact: WEI Taibao

Abstract: One lamellar coordination compound, Cu(DMBC)2(H2O)2(DMBC=2-(3,5-dimethylphenoxy) acetic acid), was hydrothermally synthesized using CuCl2 and 2-(3,5-dimethylphenoxy)acetic acid(DMBC). The ligand, DMBC, was obtained by the reaction of 3,5-dimethylphenol with 2-chloroacetic acid using polyethylene glycol(PEG-400) as the phase transfer catalyst. The compound was characterized by elemental analysis, IR and single crystal X-ray diffraction. The title compound crystallizes in the monoclinic system with space group P21/c, a=1.526(2) nm, b=0.7092(11) nm, c=1.0942(17) nm, β=104.567(15)°, V=1.146(3) nm3, Z=2, F(000)=478. The centric Cu(Ⅱ) cation situates in the center of a slightly deformed quadrilateral plane and coordinated with two oxygen atoms from two ligands and two water molecules. It further self-assembles into a 2D lamellar supramolecular frameworks via π-π interactions and hydrogen bondings. A quantization calculation of the title compound was carried out at the B3LYP/6-31G level using Gussian 03 program, and the atomic charge distribution within the molecule was given. The calculation results are comparable to the measured results. Its activities toward the rapeseed germination and antibacterial action have been evaluated. CCDC:909139

Key words: (dimethylphenoxy) acetic acid, Cu (Ⅱ) complexes, crystal structure, plant growth regulating activity, antibacterial activity, Quantization calculation

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