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 : 9541 m s −1 ; P : 40.5 GPa), and 4 ( v D : 9256 m s −1 ; P : 38.0 GPa) exhibit excellent detonation performances, which are comparable with current high explosives such as RDX ( v D : 8724 m s −1 ; P : 35.2 GPa) and HMX ( v D : 9059 m s −1 ; P : 39.2 GPa).