Comparative Study of Trifunctionalization for Enhanced Energy and Thermal Stability in Zwitterionic Fused Triazole Skeletons

In this work, two energetic compounds 5-(3-iminio-6-nitro-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-2(7H)-yl)tetrazol-1-ide (TT) and 3-nitro-7-(2H-tetrazol-5-yl)-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-6-amine (FT) were successfully synthesized from the same compound 3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazolium (TATOT). Both compounds contain three explosophores, amino, nitro, and tetrazole, on the fused ring. Through different functional group arrangements, TT possesses higher density and good thermal stability. FT exhibits a low sensitivity to mechanical stimulation. Both compounds show promising energetic performance properties.