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化学学报
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化学学报 ›› 2011, Vol. 69 ›› Issue (08): 987-992. 上一篇    下一篇

研究论文

含能配合物[Zn(CHZ)3](ClO4)2的晶体结构、热行为及感度性能研究

齐书元，李志敏，张同来*，周遵宁，杨利，张建国，乔小晶，郁开北   

  1. (北京理工大学爆炸科学与技术国家重点实验室 北京 100081)
  • 投稿日期:2010-09-19 修回日期:2010-10-26 发布日期:2010-12-01
  • 通讯作者: 张同来 E-mail:ztlbit@bit.edu.cn
  • 基金资助:

    爆炸科学与技术国家重点实验室（北京理工大学）自主课题资助项目;国家自然科学基金委-中国工程物理研究院联合基金资助项目

Crystal Structure, Thermal Analysis and Sensitivity Property of [Zn(CHZ)3](ClO4)2

QI Shu-Yuan, LI Zhi-Min, ZHANG Tong-Lai, ZHOU Zun-Ning, YANG Li, ZHANG Jian-Guo, QIAO Xiao-Jing, YU Kai-Bei   

  1. (State Key Laboratory of Explosion of Science and Technology, Beijing Institute of Technology, Beijing 100081)
  • Received:2010-09-19 Revised:2010-10-26 Published:2010-12-01
  • Contact: Tong-lai Zhang E-mail:ztlbit@bit.edu.cn

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通过碳酰肼水溶液与高氯酸锌水溶液反应制得含能配合物[Zn(CHZ)3](ClO4)2. 培养获得了配合物的单晶, 用X射线单晶衍射法测定了晶体结构, 该晶体属于单斜晶系、P2(1)/n空间群, 晶胞参数a＝1.0005(2) nm, b＝0.8428(1) nm, c＝2.1218(4) nm, β＝100.948(3)°, V＝1.7566(5) nm3, Dc＝2.021 g/cm3, Z＝4, F(000)＝1088, R1＝0.0341, ωR2＝0.0729. 该配合物分子式为[Zn(CHZ)3](ClO4)2, CHZ分子配体通过羰基O原子和端位N原子与锌离子形成配位键, 构成稳定的五元环结构. 差示扫描量热(DSC)分析和热重-微分热重(TG-DTG)分析结果表明, [Zn(CHZ)3](ClO4)2在270 ℃以下无分解反应, 耐热性好|在280～340 ℃之间发生剧烈的连续放热分解, 具有起爆药的热分解特征. 感度性能测试结果表明, Zn(CHZ)3](ClO4)2对撞击、摩擦、火焰等外界刺激不敏感, 安全性好.

关键词: 碳酰肼, 高氯酸碳酰肼合锌, 晶体结构, 热分析, 感度

A new energetic compound [Zn(CHZ)3](ClO4)2 was synthesized in aqueous solutions of carbohydrazide and Zn(ClO4)2. Single crystals suitable for X-ray analysis were obtained. The compound was characterized by differential scanning calorimetry (DSC), thermal gravimetry-differential thermal gravimetry (TG-DTG) and single crystal X-ray diffraction analysis. The crystal belongs to a monoclinic system with P2(1)/n space group and cell parameters of a＝1.0005(2) nm, b＝0.8428(1) nm, c＝2.1218(4) nm, β＝100.948(3)°, V＝1.7566(5) nm3, Dc＝2.021 g/cm3, Z＝4, F(000)＝1088, R1＝0.0341 and ωR2＝0.0729. The Zinc(II) cation is coordinated with carbonyl O atoms and N atoms from carbohydrazide forming a six-coordinated ring structure. [Zn(CHZ)3](ClO4)2 can resist heat up to 270 ℃. An intense continuous exothermic decomposition process occurs in the range of 280～340 ℃. The sensitivity test results reveal that [Zn(CHZ)3](ClO4)2 was insensitive to impact, friction and flame stimuli.

Key words: carbohydrazide, zinc carbohydrazide perchlorate, crystal structure, thermoanalysis, sensitivity