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).