CHINESE JOURNAL OF ENERGETIC MATERIALS
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4-羟基-3,5-二硝基吡唑胍盐的合成、晶体结构及性能
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北京理工大学爆炸科学与技术国家重点实验室, 北京 100081

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国家自然科学基金资助(U1830134)


Synthesis, Crystal Structure and Properties of 4-hydroxy-3,5-dinitropyrazologuanidine Salt (DNPOG)
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State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China

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    摘要:

    为了获得性能优良的含能材料,以4-氯吡唑为原料,经硝化、水解、酸化及成盐反应合成了一种新型含能离子盐4-羟基-3,5-二硝基吡唑胍盐(DNPOG),采用红外光谱、核磁共振分析及元素分析对其结构进行了表征,培养得到了DNPOG单晶,晶体结构为三斜晶系,空间群为P-1,相对分子质量Mr=233.17 g·cm-1,晶胞参数a=4.8958(5) Å,b=8.1933(8) Å,c=11.9669(11) Å,Z=2,晶体密度Dc=1.750 g·cm-3;计算研究了DNPOG晶体中的氢键及π-π共轭作用对其分子间相互作用力的贡献,其氢键占比为47%;采用差式扫描量热仪(DSC)和热失重仪(TG)研究了其热分解特性,其第一分解峰温为212.5 ℃;研究了DNPOG爆轰与安全性能,爆速7871 m·s-1、爆压23.8 GPa、生成焓为-160.2 kJ·mol-1、撞击感度20 J、摩擦感度240 N。研究结果表明,DNPOG为层状堆积,热稳定性较好、感度较低,是一种性能优良的低感炸药。

    Abstract:

    In order to obtain energetic materials with excellent performance, a new type of energetic ionic salt 4-hydroxy-3,5-dinitropyrazole guanidine salt (DNPOG) was synthesized by nitration, hydrolysis, acidification and salt formation reaction with 4-chloropyrazole as raw material. The structure was characterized by FTIR, NMR and EA analysis. The crystal structure of DNPOG was triclinic with space group P-1, relative molecular mass Mr=233.17 g·cm-1a=4.8958(5) Å, b=8.1933(8) Å, c=11.9669(11) Å, Z=2, and crystal density Dc=1.750 g·cm-3. The contribution of hydrogen bond and π-π conjugation in DNPOG to the intermolecular interaction force was calculated and studied, and the hydrogen bond accounted for 47%. The thermal decomposition characteristics were investigated by differential scanning calorimetry (DSC) and thermogravimetry (TG). The peak temperature of the first decomposition was 212.5 ℃. The detonation and safety properties of DNPOG were studied. The detonation velocity is 7871 m·s-1, the detonation pressure is 23.8 GPa, the formation enthalpy is -160.2 kJ·mol-1, the impact sensitivity is 20 J, and the friction sensitivity is 240 N. The results show that DNPOG is layered accumulation, with good thermal stability and low sensitivity, which is a kind of low sensitivity explosive with excellent performance.

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董文帅,曹文丽,毕玉帆,等.4-羟基-3,5-二硝基吡唑胍盐的合成、晶体结构及性能[J].含能材料, 2021, 29(8):726-731. DOI:10.11943/CJEM2021119.
DONG Wen-shuai, CAO Wen-li, BI Yu-fan, et al. Synthesis, Crystal Structure and Properties of 4-hydroxy-3,5-dinitropyrazologuanidine Salt (DNPOG)[J]. Chinese Journal of Energetic Materials, 2021, 29(8):726-731. DOI:10.11943/CJEM2021119.

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历史
  • 收稿日期: 2021-05-11
  • 最后修改日期: 2021-06-19
  • 录用日期: 2021-06-07
  • 在线发布日期: 2021-06-10
  • 出版日期: 2021-08-25