Preparation, Crystal Structure, and Thermal Decomposition of the Intriguing Five-coordinated Compound [Cu(IMI)4Cl]Cl (IMI = Imidazole)

Authors

  • Bi-Dong Wu,

    1. State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, P. R. China
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  • Zun-Ning Zhou,

    1. State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, P. R. China
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  • Yan-Gang Bi,

    1. State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, P. R. China
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  • Li Yang,

    1. State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, P. R. China
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  • Jian-Guo Zhang,

    1. State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, P. R. China
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  • Tong-Lai Zhang

    Corresponding author
    1. State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, P. R. China
    • State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, P. R. China, Fax: +86-10-68911202
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  • Supporting Information for this article is available on the WWW under http://dx.doi.org/10.1002/zaac.201200520 or from the author.

Abstract

The intriguing multi-ligand compound [Cu(IMI)4Cl]Cl (1) with the ligand imidazole (IMI) was synthesized and characterized by elemental analysis and FT-IR spectroscopy. The crystal structure was determined by X-ray single crystal diffraction and the crystallographic data showed that the compound belongs to the monoclinic P21/n space group [α = 8.847(2) Å, b = 13.210(3) Å, c = 13.870(3) Å, and β = 90.164(3)°]. Furthermore, the CuII ion is five-coordinated by four nitrogen atoms from four imidazole ligands and a chlorine atom. The thermal decomposition mechanism was determined based on differential scanning calorimetry (DSC) and thermogravimetric (TG-DTG) analysis. The non-isothermal kinetics parameters were calculated by the Kissinger's method and Ozawa's method, respectively. The energy of combustion, enthalpy of formation, critical temperature of thermal explosion, entropy of activation (ΔS), enthalpy of activation (ΔH), and free energy of activation (ΔG) were measured and calculated.

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