Metal salts of fused triazole–triazine as promising energetic materials: crystal structures, energetic properties and high thermal stability

Abstract

The transformation of energetic materials into metal salts can enhance their thermal stability. A series of high-energy metal salts comprising sodium ions (4), potassium ions (5), rubidium ions (6), and cesium ions (7) were synthesized based on 3-(dinitromethanidyl)-[1,2,4]triazolo[5,1-c][1,2,4](triazin-4-yl)(nitro)amide (DTT). The elemental composition and crystal structures of compound 5–7 were determined using techniques such as nuclear magnetic resonance spectroscopy, infrared spectroscopy, and X-ray diffraction analysis. Crystallographic studies showed that the metal salt crystals had structural stability, likely due to the incorporation of metal ions into the compound. The compounds 5–7 underwent rigorous testing using differential scanning calorimetry (DSC) and thermo gravimetric analysis (TGA), which validated their thermal stability. The incorporation of metal ions induced notable modifications to the crystal packing and overall structure, endowing the high-energy salts with advantageous properties such as density (1.907–2.477 g cm⁻³), resistance to elevated temperatures (T_d ≥ 270.39 °C) and good detonating properties. (D ≥ 7353 m s⁻¹, P ≥ 21.3 GPa).