Highly energetic salts based on the planar 3,6-dinitramino[1,2,4]triazolo[4,3-b][1,2,4]triazole

Abstract

A new series of energetic salts based on all-carbon-nitramino-functionalized fused-triazole backbone were synthesized and fully characterized by differential scanning calorimetry, IR, 1H and 13C nuclear magnetic resonance as well as elemental analysis. Crystal structures of compounds 5 and 7 were confirmed by X-ray single-crystal diffraction and their crystal packing characteristics were thoroughly explored by NCI and Hirshfeld surfaces analysis. The densities of new compounds range from 1.70 to 1.82 g cm−3. All energetic salts exhibit good thermostability and are less sensitive than RDX, while their theoretical detonation pressures and velocities range within 25.7–33.5 GPa and 8272–9138 m s−1, respectively. Salts 2, 4, 5 and 6 possess fascinating detonation velocities and acceptable stabilities which make them competitive high-energy-density materials. Thus significant contribution of the planarity of DNATT anion to improved stabilities and maintaining high detonation performances of energetic salts was distinctly proved as compared with that of 3,6,7-trinitramino[1,2,4]triazolo[4,3-b][1,2,4]triazole anion.