Nitrogen-Rich Energetic Monoanionic Salts of 3,4-Bis(1 H-5-tetrazolyl)furoxan

• Published in: Chemistry, an Asian journal an Asian journal, 2012-04, Vol.7 (4), p.707-714
• Main Authors: Huang, Haifeng, Zhou, Zhiming, Liang, Lixuan, Song, Jinhong, Wang, Kai, Cao, Dan, Sun, Wenwen, Bian, Chengming, Xue, Min
• Format: Article
• Language: English
• Subjects: Chemistry; density functional calculations; detonation performance; energetic salts; heterocycles; tetrazoles
• ISSN: 1861-4728; 1861-471X
• DOI: 10.1002/asia.201100702

3,4‐Bis(1H‐5‐tetrazolyl)furoxan (H2BTF, 2) and its monoanionic salts that contain nitrogen‐rich cations were readily synthesized and fully characterized by multinuclear NMR (1H, 13C) and IR spectroscopy, differential scanning calorimetry (DSC), and elemental analyses. Hydrazinium (3) and 4‐amino‐1,2,4‐triazolium (7) salts crystallized in the monoclinic space group P2(1)/n and have calculated densities of 1.820 and 1.764 g cm−3, respectively. The densities of the energetic salts range between 1.63 and 1.79 g cm−3, as measured by a gas pycnometer. Detonation pressures and detonation velocities were calculated to be 23.1–32.5 GPa and 7740–8790 m s−1, respectively. Ready for an energy boost? Nitrogen‐rich salts in which the anion bears a furoxan ring connected with two tetrazole rings exhibit reasonable physical properties, such as high densities (1.63–1.79 g cm−3) and good thermal stabilities (182–258 °C), and possess high positive heats of formation (859.8–1063.5 kJ mol−1). Their detonation velocities and detonation pressures were calculated to be 7740–8790 m s−1 and 23.1–32.5 GPa, respectively.