CHINESE JOURNAL OF ENERGETIC MATERIALS
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富氮多环含能离子盐的合成和性能
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北京理工大学材料学院

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国家自然科学基金(22075023)


Synthesis and Properties of Nitrogen-rich Polycyclic Energetic Ionic Salts
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School of Materials Science and Engineering, Beijing Institute of Technology

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    摘要:

    以多氨基稠环化合物6,7-二氨基-3亚氨基-[1,2,4]三唑并[1,2,4]三唑连四唑(TATOT-T)为原料,经过高锰酸钾氧化偶联和高氯酸成盐等步骤,合成了一种偶氮桥联的富氮多环含能化合物2,2′-二四唑基-3,6-二氨基-7,7′-偶氮基-[1,2,4]三唑并[1,2,4]三唑高氯酸盐(2)。采用傅里叶红外光谱、核磁共振、元素分析、X-射线单晶衍射技术,以及差示扫描量热法(DSC)和热重分析(TG)对化合物2进行结构表征和热性能分析,结合高斯软件计算的生成焓,使用EXPLO5软件计算了其爆轰性能。结果表明,所得化合物2晶体属于单斜晶系,晶体密度为1.750 g·cm-3,每个晶胞中包含4个分子,起始热分解温度为232.6 ℃,理论爆速为8373 m∙s-1,爆压为29.05 GPa,撞击感度为40 J,摩擦感度为360 N,对外界机械刺激钝感,具有良好综合性能。

    Abstract:

    A coupling reaction using hydrochloric acid and potassium permanganate as oxidizing agents was carried out to synthesize compound 1 from the polyamino fused heterocyclic compound 5-(6,7-diamino-3-imino-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazolo-2(7H)-yl)tetrazole. Subsequent displacement reaction in perchloric acid gave the perchlorate 2. The structure and thermal performance of compound 2 were characterized by X-ray single crystal diffraction, Fourier Infrared spectroscopy, Nuclear Magnetic Resonance, elemental analysis, differential scanning calorimetry (DSC) and thermogravimetry analysis (TG). Additionally, the heat of formation was computed using Gaussian software, and the detonation properties of compound 2 were calculated using EXPLO5 software. The results showed that compound 2 crystallizes in the monoclinic crystal system, possessing a crystal density of 1.750 g·cm-3 with four molecules per unit cell. The onset thermal decomposition temperature of compound 2 is 232.6 ℃, its theoretical detonation velocity and pressure are 8373 m∙s-1 and 29.05 GPa, respectively. Remarkably, compound 2 exhibited insensitivity to external mechanical stimuli, evidenced by an impact sensitivity of 40 J and a friction sensitivity of 360 N, indicative of its robust performance overall.

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王喆,尹平,庞思平.富氮多环含能离子盐的合成和性能[J].含能材料, 2024, 32(6):623-630. DOI:10.11943/CJEM2024056.
WANG Zhe, YIN Ping, PANG Si-ping. Synthesis and Properties of Nitrogen-rich Polycyclic Energetic Ionic Salts[J]. Chinese Journal of Energetic Materials, 2024, 32(6):623-630. DOI:10.11943/CJEM2024056.

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历史
  • 收稿日期: 2024-02-21
  • 最后修改日期: 2024-05-27
  • 录用日期: 2024-05-20
  • 在线发布日期: 2024-05-21
  • 出版日期: 2024-06-25