Abstract

The barrier in the development of energetic material is the material design and performance improvement based on it. Currently, creative design and preparation of novel nitrogen-rich compounds are significant for new generation of green energetic materials. At the present work, organic heterocyclic hybrid pyrazol-triazole was constructed, synthesized and applied as building blocks in the development of versatile thermally stable high-energy materials. All derivatives were fully characterized by vibrational infrared spectroscopy (IR), multinuclear NMR (1H, 13C) spectroscopy, elemental analysis, differential scanning calorimetry (DSC), impact and friction-sensitivity test. Additionally, the structures of 4–8 and 10–13 were further confirmed by single-crystal X-ray diffraction and their crystal packing characteristics were thoroughly analyzed. Compound 2 not only enchanced physical properties of its ionic derivatives obviously, but also showed good detonation performance (D: 9075 m s−1) exceeding that of RDX, excellent insensitivity (IS > 80 J, FS > 360 N) comparable to that of TATB and superior thermal stability (331 °C) to that of HNS. Its ionic salts (compounds 4–14) also exhibit reasonable properties, such as good experimental densities (1.75–2.10 g cm−3), high thermal stability (174289 °C), good safety properties, excellent detionation performance (Dv: 7745–8952 m s−1, P: 23.830.6 GPa), suggesting this new pyrazol-triazole hybrid is beneficial for improving their physical performance. This work is helpful for accelerating the discovery of insensitive, thermostable and high-energy green energetic materials.

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