CHINESE JOURNAL OF ENERGETIC MATERIALS
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3,5,7-三氨基-[1,2,4]三唑并[4,3-a][1,3,5]三嗪五唑盐的合成与性能
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南京理工大学化学与化工学院

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国家自然科学基金资助(22275090)


Synthesis and Charaterization of 3,5,7-Triamino[1,2,4]triazolo[4,3-a][1,3,5]triazine Pentazolate Salt
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School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology

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    摘要:

    以五唑银为原料与3,5,7-三氨基-[1,2,4]三唑并[4,3-a][1,3,5]三嗪盐酸盐通过复分解反应合成了一种新型非金属五唑盐——3,5,7-三氨基-[1,2,4]三唑并[4,3-a][1,3,5]三嗪五唑盐(4)。通过X-射线单晶衍射、红外光谱(IR)、元素分析(EA)、核磁共振(NMR)对合成的新型五唑盐进行了结构表征,并采用热重分析(TG)和差示扫描量热分析(DSC)测试其热分解行为。使用原子化法计算了化合物4的生成焓,使用EXPLO5预测了爆轰性能,并采用BAM方法测试其撞击感度和摩擦感度。测试结果显示,化合物4的晶体密度为1.644 g·cm-3,属单斜晶系,P21/n空间群,氮含量77%,热分解温度113.8 ℃,生成焓491.5 kJ·mol-1,爆速7913 m·s-1,爆压19.6 GPa,撞击感度>40 J,摩擦感度>360 N。

    Abstract:

    A novel nonmetallic salt, 3,5,7-triamino[1,2,4]triazolo[4,3-a][1,3,5]triazine pentazolate (4), was synthesized through a metathesis reaction by employing AgN5 as precusor with 3,5,7-triamino[1,2,4]triazolo[4,3-a][1,3,5]triazine hydrochloride. The structural characterization were carried out by X-ray single crystal diffraction, infrared spectroscopy (IR), elemental analysis (EA), nuclear magnetic resonance (NMR), and thermal decomposition behavior were determined by thermogravimetric analysis (TG) and differential scanning calorimetry (DSC). The enthalpy of formation of compound 4 was calculated using atomization method, the detonation performance was predicted using EXPLO5, and sensitivity was tested using BAM testing method. The results show that compound 4 exhibits a monoclinic crystal structure with a crystal density of 1.644 g·cm-3 and belongs to the P21/n space group. This compound has a nitrogen content of 77%, a thermal decomposition temperature of 113.8 ℃, and an enthalpy of formation of 491.5 kJ·mol-1. Furthermore, its detonation velocity was calculated at 7913 m·s-1, detonation pressure at 19.6 GPa; The impact sensitivities were measured >40 J, and friction sensitivity >360 N.

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蒋帅杰,秦雅琪,许元刚,等. 3,5,7-三氨基-[1,2,4]三唑并[4,3-a][1,3,5]三嗪五唑盐的合成与性能[J]. 含能材料,DOI:10.11943/CJEM2024028.

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  • 收稿日期: 2024-01-19
  • 最后修改日期: 2024-03-27
  • 录用日期: 2024-03-26
  • 在线发布日期: 2024-03-27
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