Nitramino-furazan-functionalized fused high-nitrogen backbones as energetic materials with high detonation performance and good molecular stabilities

Abstract

A series of promising fused energetic materials is investigated through the combination of nitramino-1,2,5-oxadiazole and fused high-nitrogen backbones. All new compounds were well characterized by infrared radiation and multinuclear nuclear magnetic resonance spectroscopy, thermal analysis, and elemental analysis. Some of them were further studied by using single crystal X-ray diffraction. The heats of formation of all the energetic compounds were calculated using Gaussian 09. With high nitrogen contents (49.3–61.2%) and tremendous ring-strain energy, these fused compounds show high positive heats of formation ranging from 1.13 to 3.04 kJ g⁻¹, much higher than those of RDX (0.32 kJ g⁻¹) and HMX (0.25 kJ g⁻¹). Their energetic properties were evaluated with EXPLO5. Among them, high-nitrogen salts exhibit high densities, excellent detonation performance, and good molecular stabilities, similar to the secondary explosive HMX, and thereby highlight their potential applications as new promising energetic materials.