| Abstract: | Tetrazolone (5‐oxotetrazole, 1 ) is formed by diazotization of 5‐aminotetrazole in the presence of CuSO4. Nitrogen‐rich salts such as guanidinium ( 2 ), 1‐aminoguanidinium ( 3 ), 1,3‐diamino‐guanidinium ( 4 ), 1,3,5‐triamino‐guanidinium ( 5 ), ammonium ( 6 ), hydrazinium ( 7 ) and the hydroxylammonium ( 8 ) salts of tetrazolone were prepared by facile deprotonation or metathesis reactions. All compounds were characterized by single‐crystal X‐ray diffraction, vibrational spectroscopy (IR and Raman), multinuclear NMR spectroscopy, elemental analysis and DSC measurements. The heats of formation of 2–8 were calculated using the atomization method based on CBS‐4M enthalpies. With these values and the experimental (X‐ray) densities several detonation parameters such as the detonation pressure, velocity, energy and temperature were computed using the EXPLO5 code (V.5.04). In addition, the sensitivities towards impact, friction and electrical discharge were tested using the BAM drop hammer and friction tester as well as a small scale electrical discharge device. |
