Nitrogen-Catenated Energetic Heterocycles for Metal-Free Primary Explosives and Gas Generators

Nitrogen-rich energetic materials combining high detonation performance and efficient gas generation are attractive for advanced technological and defense applications. Herein, structurally unique compounds were synthesized and characterized, with their structures confirmed by single-crystal X-ray diffraction (3 and 5). They exhibit good thermal stability (Td = 156–219 °C) and acceptable sensitivity (2.5–5 J), along with competitive detonation performance (VOD: 7800 m s–1; DP: 23.8 GPa for 7) and high N2-rich gas output (607–641.9 dm3 kg–1), highlighting their promise as next-generation gas-generating energetic materials.