A facile synthesis of energetic salts based on fully nitroamino-functionalized [1,2,4]triazolo[4,3-b][1,2,4]triazole

A novel family of fully nitroamino-functionalized [1,2,4]triazolo[4,3-b][1,2,4]triazole-based energetic salts were synthesized. All salts were characterized by IR and multinuclear NMR spectroscopy, thermal analysis and elemental analysis. The crystal structures of salts 5, 6, and 7 were confirmed by single-crystal X-ray diffraction. The densities of these salts are between 1.65 (4) and 1.89 g cm-3 (3), whilst their oxygen balances are between -42.8% (7) and -11.3% (3). Theoretical performance calculations (Gaussian 09 and EXPLO 6.01) provided detonation pressures and velocities for salts 2-7 in the ranges of 27.6-41.1 GPa and 8519-9518 m s-1, respectively, which make them competitive energetic materials.