Theoretical evaluation of the change in detonation characteristics of energetic amines upon conversion into triazenes and pentazole

Анотація

Aromatic and heterocyclic amines form a huge pool of modern energetic materials, both molecular and salt-like [1]. Simultaneous presence of amino and notro groups in an energetic molecule provide benefit in stability due to strong intramolecular hydrogen bonds, like in 1,3-diamino-2,4,6-trinitrobenzene (DATB) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), which results in high h50values equal 320 and 490 cm, respectively [2]. Additionally, such amines can be converted into diazoaminoarenes (triazenes) and pentazoles via formation of diazolium salt as an intermediate