Crystal Structure, Thermal Decomposition Behaviors and Sensitivity Properties of a Novel Energetic Compound [Co（DAT）6] （CIO4）2  

作　　者：Qi, Shuyuan Li, Zhimin Zhou, Zunning Cui, Yan Zhang, Guotao Zhang, Tonglai Zhang, Jianguo Yang, Li 

机构地区：[1]State Key Laboratory of Explosion Science and Technology, Beijing Institute of Techonoly, Beijing 100081, China

出　　处：《Chinese Journal of Chemistry》2011年第1期59-64,共6页中国化学（英文版）

基　　金：Project supported by the NSAF Foundation （No. 10776002） of National Natural Science Foundation of China and China Academy of Engineering Physics and the opening project （No. ZDKT10-01b） of State Key Laboratory of Science and Technology （Beijing Institute of Technology）.

摘　　要：A novel energetic coordination compound [Co（DAT）6]（CIO4）2 has been synthesized by using 1,5-diaminotetrazole （DAT） as a ligand and its structure has been characterized using X-ray single crystal diffraction, elemental analysis and FT-IR spectroscopy. The central cobalt（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 by the extensive intermolecular hydrogen bonds between DAT ligands and CIO4 anions along a-axis and b-axis. Thermal decomposition mechanism of [Co（DAT）6]（CIO4）2 was investigated based on differential scanning calorimetry （DSC）, thermogravimetric analysis （TGA） and Fourier transform infrared （FF-IR） spectra. The kinetic parameters of the first exothermic process were studied by applying the Kissinger＇s and Ozawa-Doyle＇s methods. Additionally, the sensitivities of this complex were tested. The results of all the studies show that [Co（DAT）6]（CIO4）2 has an extreme potential application as an energetic material.A novel energetic coordination compound [Co（DAT）6]（CIO4）2 has been synthesized by using 1,5-diaminotetrazole （DAT） as a ligand and its structure has been characterized using X-ray single crystal diffraction, elemental analysis and FT-IR spectroscopy. The central cobalt（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 by the extensive intermolecular hydrogen bonds between DAT ligands and CIO4 anions along a-axis and b-axis. Thermal decomposition mechanism of [Co（DAT）6]（CIO4）2 was investigated based on differential scanning calorimetry （DSC）, thermogravimetric analysis （TGA） and Fourier transform infrared （FF-IR） spectra. The kinetic parameters of the first exothermic process were studied by applying the Kissinger＇s and Ozawa-Doyle＇s methods. Additionally, the sensitivities of this complex were tested. The results of all the studies show that [Co（DAT）6]（CIO4）2 has an extreme potential application as an energetic material.

关 键 词：COBALT crystal structure 1 5-diaminotetrazole THERMOCHEMISTRY sensitivity properties 

分 类 号：O614.121[理学—无机化学] TN912.22[理学—化学]