CHINESE JOURNAL OF ENERGETIC MATERIALS
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一种新型吡唑并三嗪含能K-MOF的合成及性能
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1.西南科技大学材料与化学学院;2.宜宾北方川安化工有限公司;3.中国工程物理研究院化工材料研究所

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基金项目:

国家自然科学基金(22075260);四川省自然科学基金面上项目(2022NSFSC0288)


Synthesis and Properties of a New Pyrazolo-triazine-based Energetic K-MOF
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1.School of Materials and Chemistry, Southwest University of Science and Technology;2.Yibin North Chuanan Chemical Industries Co, Ltd;3.Institute of Chemical Materials China Academy of Engineering Physics

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    摘要:

    以5-氨基吡唑为原料,经重氮化环化、环加成和硝化反应合成得到富氮稠环与钾离子形成的三维含能金属有机骨架(3D EMOF)化合物4-硝氨-3,8-二硝基吡唑并[5,1-c][1,2,4]三嗪钾盐(4)。采用核磁共振(NMR)、傅里叶红外光谱(FT-IR)、质谱(MS)、X-射线单晶衍射(XRD)、差示扫描量热法(DSC)等对化合物4进行了分析表征,运用BAM标准测试方法测试了摩擦感度和撞击感度,并基于等键反应方程与EXPLO5软件预测其爆轰性能。结果表明,化合物4的晶体属于单斜晶系,PnP21/c空间群,具有三维金属有机骨架(MOF)结构,150 K时密度高达2.021 g·cm-3;化合物4的热分解温度为203.4 ℃,理论爆速为8717 m·s-1,理论爆压为33.5 GPa,摩擦感度为168 N,撞击感度<3 J。

    Abstract:

    Energetic potassium 3,8-dinitro(pyrazolo[5,1-c][1,2,4]triazin-4-yl)nitramide (4) with a 3-dimensional metal-organic framework (3D EMOF) was synthesized via diazotization, cycloaddition and nitration by using 5-aminopyrazole (1) as raw material. Compound 4 was characterized and analyzed by nuclear magnetic resonance (NMR), Fourier infrared spectroscopy (FT-IR), mass spectrometry (MS), single crystal X-ray diffraction (SC-XRD), and differential scanning calorimetry (DSC). The friction sensitivity and impact sensitivity of compound 4 were tested according to BAM standard. The detonation performance of compound 4 was predicted by EXPLO 5 software based on isodesmic reaction. Results show that the crystal of compound 4 belongs to monoclinic system, space groups Pn and P21/c, exhibits a 3-dimensional metal-organic framework (MOF) structure with a density of 2.021 g·cm-3 at 150 K. Compound 4 has a thermal decomposition temperature of 203.4 ℃, a theoretical detonation velocity of 8717 m·s-1, a theoretical detonation pressure of 33.5 GPa, a friction sensitivity of 168 N, and an impact sensitivity <3 J.

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陈政国,张莉,邹佳,等. 一种新型吡唑并三嗪含能K-MOF的合成及性能[J]. 含能材料,DOI:10.11943/CJEM2025024.

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  • 收稿日期: 2025-02-17
  • 最后修改日期: 2025-04-09
  • 录用日期: 2025-04-03
  • 在线发布日期: 2025-04-07
  • 出版日期: