Acta Chimica Sinica ›› 2010, Vol. 68 ›› Issue (03): 233-238. Previous Articles     Next Articles

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含能配合物[Zn(DAT)6](ClO4)2(DAT=1,5-二氨基四唑)的合成、晶体结构及性质

尚静1,张建国*,1,崔燕2,张同来*,1,舒远杰3,杨利1   

  1. (1北京理工大学爆炸科学与技术国家重点实验室 北京 100081)
    (2中国人民解放军防化研究院第六研究所 北京 102205)
    (3中国工程物理研究院化工材料研究所 绵阳 621900)
  • 收稿日期:2009-07-31 修回日期:2009-09-12 出版日期:2010-02-14 发布日期:2010-02-20
  • 通讯作者: 张建国 E-mail:zhangjianguobit@yahoo.com.cn
  • 基金资助:

    国家自然科学基金

Synthesis, Crystal Structure, and Properties of an Energetic Compound [Zn(1,5-diaminotetrazole)6](ClO4)2

Shang Jing1 Zhang Jianguo*,1 Cui Yan2 Zhang Tonglai*,1 Shu Yuanjie3 Yang Li1   

  1. (1 State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081)
    (2 The 6th Department, Research Institute of Chemical Defense (PLA), Beijing 102205)
    (3 Institute of Chemical Materials, Chinese Academy of Engineering Physics, Mianyang 621900)
  • Received:2009-07-31 Revised:2009-09-12 Online:2010-02-14 Published:2010-02-20
  • Contact: Jianguo Zhang E-mail:zhangjianguobit@yahoo.com.cn

An environmentally friendly energetic coordination compound [Zn(DAT)6](ClO4)2 (DAT=1,5-diaminotetrazole) has been synthesized by using DAT as ligand, characterized by elemental analysis and FT-IR spectroscopy. The single crystal structure of the title compound was determined by applying X-ray single crystal diffraction, which shows that the crystal belongs to trigonal crystal system with space group , and its crystal parameters: ab=1.18398(9) nm, c=0.65700(10) nm, γ=120°, V=0.79760(15) nm3, and Z=1. There are one Zn2+, six DAT molecules and two in the minimum asymmetric unit of the title compound. The central zinc(II) cation is coordinated by six N atoms from six DAT molecules to form a six-coordinated and distorted octahedral structure. Thermal decomposition mechanism of [Zn(DAT)6]- (ClO4)2 was predicted based on DSC, TG-DTG and FT-IR analysis results. Also the kinetic parameters of the first exothermic process and sensitivities of the title compound have been studied. The result shows that the title compound has good friction sensitivity.

Key words: 1,5-diaminotetrazole, crystal structure, thermal decomposition mechanism, sensitivity performance