Cui Yan, Zhang Jianguo, Zhang Tonglai, Yang Li, Zhang Jin, Hu Xiaochun
State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, PR China.
J Hazard Mater. 2008 Dec 15;160(1):45-50. doi: 10.1016/j.jhazmat.2008.02.078. Epub 2008 Feb 29.
An energetic coordination compound Cd(DAT)(6)(2) has been synthesized by using 1,5-diaminotetrazole (DAT) as ligand and its structure has been characterized by applying X-ray single crystal diffraction, elemental analysis and FT-IR spectroscopy. The central cadmium(II) cation is coordinated by six N atoms from six DAT molecules to form a six-coordinated and distorted octahedral structure. Di-dimension layer structure was formed and the layers were linked together by the extensive intermolecular hydrogen bonds between DAT ligands and ClO(4)(-) anions. Thermal decomposition mechanism of the title compound was predicted based on DSC, TG-DTG and FT-IR analyses results. The kinetic parameters of the first exothermic process of the title compound were studied by applying the Kissinger's and Ozawa-Doyle's methods. Sensitivity tests reveal that the title compound has sensitive nature.
通过使用1,5 - 二氨基四唑(DAT)作为配体合成了一种高能配位化合物Cd(DAT)₆₂,并通过X射线单晶衍射、元素分析和傅里叶变换红外光谱对其结构进行了表征。中心镉(II)阳离子由六个DAT分子中的六个N原子配位,形成六配位的扭曲八面体结构。形成了二维层状结构,这些层通过DAT配体与ClO₄⁻阴离子之间广泛的分子间氢键连接在一起。基于差示扫描量热法(DSC)、热重 - 微商热重法(TG - DTG)和傅里叶变换红外光谱分析结果预测了标题化合物的热分解机理。通过应用基辛格法和小泽 - 多伊尔法研究了标题化合物第一个放热过程的动力学参数。灵敏度测试表明标题化合物具有敏感性质。