Synthesis of Energetic Salts Based on 4-Nitro-5- dinitromethyl-1,2,3-1H-triazole

In order to develop 1,2,3-triazole-based energetic compounds with higher density and better detonation performance, nitro and dinitromethyl groups were introduced into the 1,2,3-triazole ring to obtain novel 4-nitro-5-dinitromethyl-1,2,3-triazole (H2NDNMT). And a series of nitrogen-rich energetic salts based on the NDNMT anion were prepared by a neutralization reaction. Among these, the potassium salt (6), diammonium salt (8), dihydrazinium salt (9), and diaminoguanidinium salt (11) have been confirmed by single-crystal X-ray diffraction. Based on heats of formation calculated with Gaussian 09 and measured densities, the detonation properties of those new energetic salts were calculated by using the EXPLO5 program. They exhibit moderate to good density (1.63–2.05 g cm−3), acceptable thermal stability (148.7–208.6 °C), and reasonable heat of formation. The detonation performances of the dihydrazinium salt (9) (vD = 9198 m s−1, P = 34.5 GPa) are better than those of RDX (vD = 8748 m s−1, P = 34.90 GPa). Additionally, they have high impact sensitivities (1–2 J), which make them potential primary explosives.