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  • 刊名： 河北师范大学学报（自然科学版）Journal of Hebei Normal University (Natural Science)
  • 主办： 河北师范大学
  • ISSN： 1000-5854
  • CN： 13-1061/N
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两种三唑四嗪含能化合物PTTz和DPTTz的结构、热行为和热安全性

  • 西北大学 化工学院, 陕西 西安 710069
  • DOI： 10.13763/j.cnki.jhebnu.nse.2020.03.008

Two Triazole Tetrazine Energetic Compounds:Crystal Structure, Thermal Behavior and Thermal Safety of PTTz and DPTTz

摘要/Abstract

摘要：

以3，6-双（3，5-二甲基吡唑）-1，2，4，5-四嗪（BT）和3-氨基-1，2，4-三唑为原料，合成了6-（1H吡唑）N（1H-1，2，4-三唑）-1，2，4，5-四嗪-3-氨（PTTz）和6-（3，5-二甲基吡唑）N（1H 1，2，4-三唑）-1，2，4，5-四嗪-3-氨（DPTTz）2种新型高氮化合物，并培养出DPTTz分子的单晶，通过X射线单晶衍射仪确定其晶体结构.结果表明：DPTTz晶体属单斜晶系，空间群为P21/n，分子中含有1分子的结晶水.采用差示扫描量热法与热重-微分热重法得到所合成2种化合物的DSC与TG DTG曲线，研究了其热分解行为；同时，利用Flynn-Wall-Ozawa，Kissinger-Akahira-Sunose，Starink，Kissinger迭代及Ozawa迭代等方法计算得到其热分解动力学参数，之后，对其热安全性进行了评估.热安全性研究表明，DPTTz的自加速分解温度（TSADT）、热点火温度（Tbe）、热爆炸临界温度（Tbp）均高于PTTz，因此，DPTTz的热安全性能更好.

Abstract：

The 3,6-bis (3,5-dimethylpyrazole)-1,2,4,5-tetrazine(BT) and 3-amino-1,2,4-triazole were used as raw materials to synthesize two new high-nitrogen compounds,which are 6-(1H-pyrazole)-N-(1H-1,2,4-triazole)-1,2,4,5-tetrazine-3-amino(PTTz) and 6-(3,5-dimethylpyrazole)-N-(1H-1,2,4-triazole)-1,2,4,5-tetrazine-3-amino(DPTTz).Thereafter,the single crystal of DPTTz was cultivated and crystal structure was determined.The results showed that DPTTz crystallized in space group P21/n of monoclinic system one crystalline water molecule in crystal structure.The differential scanning calorimetry(DSC) and thermogravimetry(TG) were carried out to study the thermal behavior of two compounds.The non- isothermal decomposition kinetic parameters were calculated by Flynn-Wall-Ozawa,Kissinger-Akahira-Sunose,Starink, Kissinger-Iteration and Ozawa-Iteration methods.After that,the thermal safety parameters were evaluated and the results showed that the self-accelerated decomposition temperature(TSADT),thermal ignition temperature(Tbe),and thermal explosion critical temperature(Tbp) of DPTTz were all higher than those of PTTz,which revealed that the thermal safety of DPTTz was better than PTTz.

关键词

关键词： 四嗪类含能化合物 ; 合成 ; 晶体结构 ; 热行为
Key words： tetrazine energetic compounds ; synthesis ; crystal structure ; thermal behavior

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