Synergistic Strategy Based on Azido-Trinitromethyl-N ₆ Chains: Toward Energetic Materials with High Nitrogen Content and Zero Oxygen Balance

A series of high-nitrogen content compounds, including DANzaBT and H 2 DANzaBT, were synthesized from a 1,2,4-triazole scaffold. DANzaBT achieves zero oxygen balance and exhibits a high heat of formation (1424.67 kJ mol –1 ) and superior detonation performance ( D = 9316 m s –1; P = 37.0 GPa), surpassing those of RDX and HMX. Its enhanced thermal stability, reduced sensitivity, and excellent laser initiation potential suggest it has promise as a new class of high-energy density materials.