| 3-硝基胍-6-(3,5-二甲基吡唑)-1,2,4,5-四嗪的晶体结构及热行为 |
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| 引用本文： | 李帅磊,胡拥鹏,胡荣祖,马海霞. 3-硝基胍-6-(3,5-二甲基吡唑)-1,2,4,5-四嗪的晶体结构及热行为[J]. 应用化学, 2016, 33(1): 39-46. DOI: 10.11944/j.issn.1000-0518.2016.01.150211 |
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| 作者姓名： | 李帅磊 胡拥鹏 胡荣祖 马海霞 |
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| 作者单位： | 西北大学化工学院 西安 710069;西安近代化学研究所燃烧与爆炸技术重点实验室 西安 710065 |
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| 基金项目： | 国家自然科学基金(21073141,21373161);教育部新世纪优秀人才支持计划资助项目(NCET-12-1047) |
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| 摘 要： | 合成了3-硝基胍-6-(3,5-二甲基吡唑)-1,2,4,5-四嗪(NDT),在二甲基甲酰胺(DMF)中培养出NDT的单晶(NDT·DMF),该晶体属于三斜晶系,P-1空间群,晶胞参数为a=0.7070(4) nm,b=0.8468(6) nm,c=1.4123(9) nm,α=73.281(8)°,β=80.423(11)°,γ=81.740(9)°,Z=2。 利用DSC和TG-DTG研究了NDT的热分解行为,其放热过程的表观活化能和指前因子分别为288.245 kJ/mol和1029.04 s-1。 对NDT的热安全性进行了研究,获得NDT的自加速分解温度TSADT为212.19 ℃,热点火温度Tbe为213.52 ℃,热爆炸临界温度Tbp为214.95 ℃,绝热至爆时间范围在5.43~6.26 s。
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| 关 键 词： | 硝基胍-(二甲基吡唑)-四嗪 晶体结构 热行为 绝热至爆时间 |
| 收稿时间： | 2015-06-23 |
Crystal Structure and Thermal Behavior of 3-Nitroguanyl-6-(3,5-dimethylpyrazol-1yl)-1,2,4,5-tetrazine |
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| LI Shuailei,HU Yongpeng,HU Rongzu,MA Haixia. Crystal Structure and Thermal Behavior of 3-Nitroguanyl-6-(3,5-dimethylpyrazol-1yl)-1,2,4,5-tetrazine[J]. Chinese Journal of Applied Chemistry, 2016, 33(1): 39-46. DOI: 10.11944/j.issn.1000-0518.2016.01.150211 |
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| Authors: | LI Shuailei HU Yongpeng HU Rongzu MA Haixia |
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| Affiliation: | School of Chemical Engineering,Northwest University,Xi'an 710069,China;Science and Technology on Combustion and Explosion Laboratory,Xi'an Modern Chemistry Research Institute,Xi'an 710065,China |
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| Abstract: | 3-Nitroguanyl-6-(3,5-dimethylpyrazol-1yl)-1,2,4,5-tetrazine(NDT) was synthesized and its crystal structure was determined by X-ray diffraction analysis. Crystals of NDT·DMF have the following parameters:triclinic, space group P-1, a=0.7070(4) nm, b=0.8468(6) nm, c=1.4123(9) nm, α=73.281(8)°, β=80.423(11)°, γ=81.740(9)°, Z=2. Thermal decomposition behavior of NDT was studied by DSC and TG-DTG analysis. The apparent activation energy and pre-exponential constant of the exothermic decomposition reaction were obtained as 288.25 kJ/mol and 1029.04 s-1, respectively. The self-accelerating decomposition temperature(TSADT), the thermal ignition temperature(Tbe) and the critical temperature of thermal explosion(Tbp) are 212.19 ℃, 213.52 ℃and 214.95 ℃, respectively. The adiabatic time-to-explosion was also estimated to be 5.43~6.26 s. |
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| Keywords: | nitroguanyl-(dimethylpyrazol-1yl)-tetrazine crystal structure thermal behavior adiabatic time-to-explosion |
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