Achieving ultra-high heat resistance of novel energetic materials through a hydrogen bonding and extended π-conjugation strategy

With the increasing demand for deep oil well resources and rapid development of aerospace exploration, the search for advanced heat-resistant energetic compounds has attracted the attention of researchers in the field of energetic materials. In this study, two heat-resistant energetic materials, viz. 3,6-bis(3,5-diamino-4-nitropyrazol-1-yl)-1,2,4,5-triazine (NPX-01) and 2,4,6-tri(3,5-diamino-4-nitropyrazol-1-yl)-1,3,5-triazine (NPX-02) were designed and synthesized through a synergistic strategy of designing strong hydrogen bonding and extended π-conjugation. The thermal decomposition temperatures of NPX-01 and NPX-02 reached 370.4 °C and 387.7 °C, respectively, which are even higher than those of commonly used heat-resistant energetic materials such as TATB (T_d = 360.0 °C) and PYX (T_d = 360.0 °C). Moreover, NPX-01 and NPX-02 also exhibited good detonation velocity (D = 8769 m s⁻¹ and D = 8310 m s⁻¹, respectively) and low mechanical sensitivities (IS ≥ 40 J, FS > 360 N), demonstrating their great potential as novel heat-resistant energetic materials.