Advanced ultra heat-resistant explosives with multiple heterocyclic skeletons of hydrogen bond network

Abstract

In recent decades, the research priority of ultra heat-resistant explosives (T_d > 350 °C, comparable to TATB) has been to investigate innovative design strategies to balance and/or exceed energy-safety limitations. In this study, a series of novel energetic molecules (H1–H4) containing six membered nitrogen heterocycles and vicinal amine-nitro pyrazole were designed and synthesized. Among these compounds, H1, H2, and H4 exhibit high onset thermal decomposition temperatures exceeding 350 °C. It is worth noting that H4 shows an ultrahigh onset thermal decomposition temperature of 365 °C, with the highest detonation velocity (8889 m s⁻¹) in the field of ultra heat-resistant explosives (T_d > 350 °C). The prominent properties of H4 with intramolecular hydrogen bonding networks support its successful selection as an ideal ultra heat resistant explosive. This research would increase the likelihood of designing energetic materials with intramolecular hydrogen bonding networks and is a significant step toward the development of advanced ultra heat-resistant explosives.