FOX-7-Fused Bicyclic Guanidinium Salts: A Series of High-Density Insensitive Energetic Materials

Polycyclic nitrogen-rich energetic compounds have attracted the attention of domestic and foreign researchers due to their unique advantages in constructing low mechanical sensitivity, good thermal stability, and high-density new energetic molecules. In this study, a series of nitrogen-rich polycyclic energetic ion salts were synthesized. The resulting compounds were structurally characterized and thermally analyzed, and their detonation properties were calculated using EXPLO5 software in combination with the enthalpy of generation calculated by Gaussian 09 software. Among them, compound 3 (ρ = 1.881 g cm–3, IS = 30 J, and FS = 252 N) demonstrates the best detonation performance, which is better than RDX, with p = 35.48 GPa, D = 8920 m·s–1, and is expected to be an alternative to conventional explosives. The results of this study suggest that the combination of nitrogen-rich fused rings and energetic units (nitro et al.) will be a promising direction for the design of new high-energy-density materials in the future.