Energetic Salts Based on a Bicyclic Nitrogen-Rich Compound with Good Molecular Stability

To achieve a balance between detonation properties and molecular stability, a series of (1,2,4-oxadiazole)-bridged pyrazole derivatives have been synthesized in this work. The compounds involved were characterized by NMR spectroscopy (H-1, C-13), IR spectroscopy, and differential scanning calorimetry (DSC), and the molecular structures of the energetic salts were further confirmed by X-ray single-crystal diffraction. These energetic derivatives have good thermal stability and low sensitivities to impact and friction, which are supported by calculations very well. In particular, perchlorate 6 with the highest decomposition temperature of 331.7 degrees C has a better thermostability than other reported perchlorate salts. In addition, their detonation velocity (D) and pressure (P) were calculated using EXPLO5 to be around D = 7712-8693 m s(-1) and P = 24.0-34.2 GPa, respectively, showing the potential to be new energetic candidates.