Bis(4-nitraminofurazanyl-3-azoxy)azofurazan and Derivatives: 1,2,5-Oxadiazole Structures and High-Performance Energetic Materials

Bis(4-nitraminofurazanyl-3-azoxy)azofurazan (1) and ten of its energetic salts were prepared and fully characterized. Computational analysis based on isochemical shielding surface and trigger bond dissociation enthalpy provide a better understanding of the thermal stabilities for nitramine-furazans. These energetic compounds exhibit good densities, high heats of formation, and excellent detonation velocity and pressure. Some representative compounds, for example, 1 (v(D): 9541ms(-1); P: 40.5GPa), and 4 (v(D): 9256ms(-1); P: 38.0GPa) exhibit excellent detonation performances, which are comparable with current high explosives such as RDX (v(D): 8724ms(-1); P: 35.2GPa) and HMX (v(D): 9059ms(-1); P: 39.2GPa).