Strategic Integration of Nitroimino and Dinitromethyl Explophores onto Tetrazole: K₂DNMNAT as a Material with Enhanced Thermal Stability and Optimized Oxygen Balance

Abstract

Enhancing the energy output of tetrazole-based materials through nitro functionalization often compromises thermal stability, posing a significant challenge in developing advanced energetic materials. In this study, we address this issue by strategically integrating both nitroimino and dinitromethyl high-energy functional groups onto the tetrazole ring, along with the incorporation of two potassium ions, yielding dipotassium 4-(dinitromethaneidyl)-5-(nitroimino)-4,5-dihydrotetrazol-1-ide (K2DNMNAT). Structural characterization confirmed the successful one-step nitration, while thermal and energetic assessments demonstrated an optimal balance between stability and performance. Comparative analysis with previously reported tetrazole-based nitroimino salts reveals that K2DNMNAT exhibits superior oxygen balance without compromising the decomposition temperature. Furthermore, when evaluated against tetrazole-based dinitromethyl-containing compounds, remarkable thermal resilience and enhanced energetic properties are found. Sensitivity tests indicate that this new nitroimino tetrazole exhibits mechanical stability within established safety thresholds in comparison with potassium-based primary explosives. Combining a straightforward synthesis, potassium-assisted stabilization, improved oxygen balance, and robust thermal stability positions, K2DNMNAT is seen to be a promising contender for next-generation energetic materials with enhanced performance and safety.