Skeletal-Isomeric Scaffold Design Enables a Dipyrazole[3,4-b;4',3'-e]pyrazine Platform for High-Density Energetic Materials

Here we report a skeletal-isomeric scaffold design strategy for a fused N-heterocyclic energetic platform based on the dipyrazole[3,4-b;4',3'-e]pyrazine scaffold. This framework preserves planarity, symmetry, and π-conjugation while enabling distinct functionalization. On this basis, DNDP and TNDP were synthesized and characterized. TNDP exhibits a density of 1.97 g·cm-3, a decomposition temperature of 201 °C, and calculated detonation performance of 9501 m·s-1 and 41.1 GPa. The delocalized backbone offsets dense nitro groups, ensuring thermal robustness and high performance.