CHINESE JOURNAL OF ENERGETIC MATERIALS
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N,N′‑[5,5′‑双(三硝基甲基)‑3,3′‑联(1H,1′H‑1,2,4‑三唑)]二硝胺的合成及性能
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1北京理工大学材料学院, 北京 100081;2北京理工大学郑州研究院, 河南 郑州 450000

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国家自然科学基金(22235003,22575026)


Synthesis and Properties of NN′-[5,5′-Bis(trinitromethyl)-3,3′-bi-1H-1,2,4-triazol-2,2′-diyl]dinitramine
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1School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China;2Beijing Institute of Technology Zhengzhou Research Institute, Zhengzhou 450000, China

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    摘要:

    以5,5’-二(三硝基甲基)-3,3’-联(1H,1’H-1,2,4-三唑)(1)为原料,通过N-氨基化反应合成5,5’-二(三硝基甲基)-2,2’-二氨基-(3,3’-联-1H,1’H-1,2,4-三唑)(2),进一步对(2)进行硝化反应,合成了一种新型化合物N,N’-[5,5’-双(三硝基甲基)-3,3’-联(1H,1’H-1,2,4-三唑)]二硝胺(3)。通过红外光谱(IR)、核磁共振(NMR)、X射线单晶衍射(XRD)、元素分析(EA)对化合物3进行结构表征,并利用同步热分析(TG-DSC)研究其热分解行为,运用等键反应方程计算了化合物3的生成焓,采用EXPLO5预测了其爆轰性能,并通过BAM标准测试方法获得其撞击感度和摩擦感度。结果表明,化合物3•2H2O的晶体密度为1.937 g•cm-3(100 K),属单斜晶系,P21/n空间群,其起始热分解温度92.6 ℃,生成焓680.5 kJ•mol-1,爆速8926 m•s-1,爆压34.1 GPa,比冲257.7 s,撞击感度2 J,摩擦感度36 N。

    Abstract:

    A novel dinitramine compound, N,N’-[5,5’-bis(trinitromethyl)-3,3’-bi-1,2,4-triazol]dinitramide (3), was synthesized via N-amination and subsequent nitration of the starting material 3,3’-bi(1H,1’H-1,2,4-triazole)-5,5’-bis(trinitromethyl) (1). The structure of compound 3 was confirmed by X-ray single-crystal diffraction (XRD) and further characterized by infrared spectroscopy (IR), elemental analysis (EA), and nuclear magnetic resonance (NMR) spectroscopy. The enthalpy of formation for compound 3 was calculated using the isodesmic reaction method, while its detonation performance was predicted using the EXPLO5 code. Results indicate that compound 3 crystallizes in the monoclinic space group P21/n. The crystal density of the dihydrate (3•2H2O) is 1.937 g•cm-3 at 100 K. It exhibits an initial decomposition temperature of 92.6 ℃ and a calculated enthalpy of formation of 680.5 kJ•mol-1. Furthermore, its predicted detonation velocity and pressure are 8926 m•s-1 and 34.1 GPa, respectively, with a specific impulse of 257.7 s. Its integrated performance suggests its potential for use as an energetic oxidizer.

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贺逸飞,张辉,尹平,等. N,N′‑[5,5′‑双(三硝基甲基)‑3,3′‑联(1H,1′H‑1,2,4‑三唑)]二硝胺的合成及性能[J]. 含能材料,DOI:10.11943/CJEM2026025.

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  • 收稿日期: 2026-01-28
  • 最后修改日期: 2026-05-28
  • 录用日期: 2026-05-13
  • 在线发布日期: 2026-05-29
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