Further study on energetic salts of TNATT anion

The dense face-to-face stacking structures of energetic salts based on TNATT anion contribute to high detonation performance. [Display omitted] Six energetic salts based on fully nitroamino-functionalized fused-triazole were synthesized. All salts were characterized by IR, multinuclear NMR spectroscopy, thermal analysis and elemental analysis. The crystal structures of salts 2, 3, and 6 were confirmed by single-crystal X-ray diffraction. The densities of all salts lie in the range between 1.77 and 1.83 g cm−3, whilst their decomposition temperatures range within 142–200 °C. Most energetic salts are slightly more sensitive than RDX. The calculated detonation pressures and velocities (Gaussian 09 and EXPLO5) of salts 2–7 range within 21.7–39.3 Gpa and 7867–9401 m s−1, respectively. Salt 7 exhibits a high density (1.83 g cm−3), acceptable thermal stability (Td = 179 °C) and sensitivity (IS = 7 J, FS = 216 N), and excellent detonation performance (vD = 9401 m s−1, P = 39.3 GPa), which suggest that salt 7 may well have promising applications as high-energy–density materials.