A novel synthesis method for nitrogen-rich energetic frameworks containing bistetrazoles: assembling an advanced high-energy density material with high nitrogen content and good oxygen balance

Abstract

The synthesis of bistetrazole via a one-step process including substitution-cyclisation-cracking reaction has been reported for the first time. The combination of a nitrogen-rich energetic framework and a high oxygen detonation group perfectly fulfills the target of maintaining a high level of nitrogen content and good oxygen balance while avoiding the safety risks. H₂TT, with 81.5% nitrogen content, demonstrates a very high heat of formation (ΔH_f = 5.54 kJ g⁻¹) and superior detonation velocity (D = 8932 m s⁻¹) to RDX (D = 8795 m s⁻¹). After the introduction of dinitromethyl high oxygen groups, the target compound BDNTT has an oxygen balance of −11.6% and a high crystal density up to 1.914 g cm⁻³, and exhibited superior detonation performance (D = 9633 m s⁻¹, P = 41.4 GPa) to HMX (D = 9144 m s⁻¹, P = 39.3 GPa). At the same time, the nitrogen content and oxygen balance of the BDNTT reached a decent level of 54.1% and −11.6%, respectively. Future researchers can use this study as experience to design advanced high-energy density materials.