The 1,3‐Diamino‐1,2,3‐triazolium Cation: A Highly Energetic Moiety

The 1,3‐diamino‐1,2,3‐triazolium cation has been prepared by the amination of 1‐amino‐1,2,3‐triazole with O ‐tosylhydroxylamine. The cation shows a very positive enthalpy of formation and is therefore highly suitable as the fuel component in new energetic materials. The cation was then paired with the energetic anions nitrate, nitrotetrazolate‐2‐oxide, 5,5′‐bis(1‐oxidotetrazolate), 5,5′‐azobis(1‐oxidotetrazolate), and nitriminotetrazolate and characterized. All the prepared compounds are high‐performance energetic materials, and when performances were compared with the corresponding triaminoguanidinium salt, those of 1,3‐diamino‐1,2,3‐triazolium were generally superior, as calculated by the EXPLO5 computer code. The heats of formation were calculated at the CBS‐4M level of theory. The impact, friction, and electrical spark sensitivities of the 1,3‐diamino‐1,2,3‐triazolium salts were measured and found to be easily initiated energetic materials.