Fully C/N-Polynitro-Functionalized 2,2'-Biimidazole Derivatives as Nitrogen- and Oxygen-Rich Energetic Salts

Through the use of a fully C/N-functionalized imidazole-based anion, it was possible to prepare nitrogen- and oxygen-rich energetic salts. When N,N-dinitramino imidazole was paired with nitrogen-rich bases, versatile ionic derivatives were prepared and fully characterized by IR, and ¹H, and ¹³C NMR spectroscopy and elemental analysis. Both experimental and theoretical evaluations show promising properties for these energetic compounds, such as high density, positive heats of formation, good oxygen balance, and acceptable stabilities. The energetic salts exhibit promising energetic performance comparable to the benchmark explosive RDX (1,3,5-trinitrotriazacyclohexane). The combination of a fully C/N-functionalized biimidazole-based anion with nitrogen-rich cations gives rise to a series of nitrogen- and oxygen-rich energetic salts. Some of them show excellent detonation properties with acceptable thermal stabilities and sensitivities, which are comparable to the benchmark explosive RDX (1,3,5-trinitrotriazacyclohexane).