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新型熔铸炸药5-甲基硝酸酯-1,5-二硝基噁嗪烷:合成、晶体结构与性能
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1.西安近代化学研究所, 陕西 西安 710065;2.氟氮化工资源高效开发与利用国家重点实验室, 陕西 西安 710065

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国家自然科学基金资助(21975199)


A Novel Melt-casting Explosive 5-Methyl nitrate-1,5-dinitrooxazine:Synthesis, Crystal Structure and Properties
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1.Xi′an Modern Chemistry Research Institute, Xi′an 710065, China;2.State Key Laboratory of Fluorine & Nitrogen Chemicals, Xi′an 710065, China

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    摘要:

    为系统研究氮氧杂六元环含能化合物,以硝基甲烷、叔丁胺与甲醛溶液为起始原料,经缩合环化构建噁嗪环骨架,硝化获得新型熔铸炸药5-甲基硝酸酯-1,5-二硝基噁嗪烷(TNOP),总收率为46.2%。并采用红外光谱、1H NMR、13C NMR及元素分析等进行了结构表征,培养了TNOP单晶,晶体结构为正交晶系,空间群为Pbca,Z=8,晶体密度1.722 g·cm-3;采用DSC与TG-DTG法研究了TNOP的热行为;其熔点为110.8 ℃、分解点为203.5 ℃;研究了TNOP的爆轰与安全性能,其理论爆速8112 m·s-1、计算爆压29.23 GPa、固相生成焓-346.6 kJ·mol-1、撞击感度ISTNOP>50 J。研究结果表明,TNOP结构独特,利用N—NO2、C—NO2以及—ONO2等含能基团协同调控其能量,具有合成工艺便捷、能量较高、熔点较低、不敏感的特点,可作为潜在的熔铸炸药应用于武器装备中。

    Abstract:

    Using nitromethane, tert-butylamine and formaldehyde as raw materials, a novel melt-casting explosive 5-methylnitrate-1,5-dinitrooxazine (TNOP) was synthesized via condensation and nitration reactions with the total yield of 46.2%. FT-IR, 1H NMR, 13C NMR, elemental analysis and single-crystal testing approaches were conducted to obtain the structure of TNOP, disclosing an orthorhombic crystal structure with a space group of Pbca and the density of 1.722 g·cm-3. The melting point and thermal decomposition temperature were examined to 110.8 ℃ and 203.5 ℃ using DSC technique, respectively. Furthermore, the detonation velocity and the detonation pressure are predicted to be 8112 m·s-1 and 29.23 GPa based on calculated enthalpy of solid phase formation (-346.6 kJ·mol-1). In addition, an impact sensitivity of 50 J could be obtained for TNOP. By coordinating the energetic groups N—NO2, C—NO2 and —ONO2 and facile synthesis process, TNOP was revealed with high energy, low melting point and low sensitivity, implying that it can be used as potential melt-casting explosive in weapons.

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杨凯迪,张家荣,薛琪,等.新型熔铸炸药5-甲基硝酸酯-1,5-二硝基噁嗪烷:合成、晶体结构与性能[J].含能材料,2021,29(4):272-277. DOI:10.11943/CJEM2021049.
YANG Kai-di, ZHANG Jia-rong, XUE Qi, et al. A Novel Melt-casting Explosive 5-Methyl nitrate-1,5-dinitrooxazine:Synthesis, Crystal Structure and Properties[J]. Chinese Journal of Energetic Materials, 2021, 29(4):272-277. DOI:10.11943/CJEM2021049.

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历史
  • 收稿日期: 2021-03-09
  • 最后修改日期: 2021-04-13
  • 录用日期: 2021-04-07
  • 在线发布日期: 2021-04-08
  • 出版日期: 2021-04-25