Azide- and Trinitromethyl-Functionalized Bitriazoles: Environmentally Friendly High-Nitrogen Energetic Materials with Zero-Oxygen Balance

In this work, two energetic materials with zero-oxygen balance, 1,2-bis(5-azido-1-(trinitromethyl)-1H-1,2,4-triazol-3-yl)diazene (DNAzaBT) and 5,5'-diazido-1,2'-bis(trinitromethyl)-1H,2'H-3,3'-bi(1,2,4-triazole) (DNAzBT), were successfully synthesized. Both DNAzaBT (D = 9495 m s-1; P = 39.2 GPa) and DNAzBT(D = 9238 m s-1; P = 37.5 GPa) show excellent detonation performance. In addition, the calculated specific impulse values of the two new compounds were very high, at 272 and 269 s, respectively. These materials possess promising applications in high-energy detonation charges and precision pyrotechnic initiators.