The unique synthesis and energetic properties of a novel fused heterocycle: 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide and its energetic salts

摘要: The unique and facile synthesis of 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide (HBCM) a proposed mechanism for its formation are described. hygroscopicity HBCM was overcome by transforming it into salts. energetic salts were characterized 1H 13C nuclear magnetic resonance spectroscopy, infrared differential scanning calorimetry (DSC) elemental analysis. crystal structures the sodium guanidinium determined single-crystal X-ray diffraction. densities ranged from 1.77 to 1.97 g cm−3. Most decomposed above 230 °C tended be insensitive impact, friction electrostatic discharge. Theoretical performance calculations (Gaussian 03 EXPLO5) provide detonation pressures velocities within ranges 25.2 39.5 GPa 7856 9069 m s−1, respectively. hydroxylammonium salt showed high density (1.97 cm−3), acceptable decomposition temperature (Td = 197 °C), low sensitivities, excellent velocity (9069 s−1) pressure (39.5 GPa), which suggests that has potential used as high-energy-density material.