Construction of Pyrazole-1,2,3-triazole Based Energetic Materials from an Azo Bridge: Toward Primary Explosives

Abstract In this work, a highly efficient azo-bridge-to-pyrazole-triazole transformation has been achieved in a fused-ring energetic material system, thereby constructing a novel pyrazole-1,2,3-triazole fused-ring energetic material. This transformation was confirmed by theoretical studies and single-crystal X-ray diffraction. This compound exhibits outstanding energetic properties, including a high density (ρ = 1.77 g cm–3) and excellent detonation performance (Dv = 8457 m s–1, P = 28.9 GPa). Such comprehensive performance renders this compound a highly promising metal-free alternative to conventional primary explosives.