FOX-7-Fused BicyclicGuanidinium Salts: A Series ofHigh-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 <i>EXPLO5</i> software in combination with the enthalpy of generation calculated by Gaussian 09 software. Among them, compound <b>3</b> (ρ = 1.881 g cm^–3, IS = 30 J, and FS = 252 N) demonstrates the best detonation performance, which is better than RDX, with <i>p</i> = 35.48 GPa, <i>D</i> = 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.