Synthesis and characterization of four energetic transition metal complexes of 3,4-diamino-1,2,4-triazole

Four complexes with the formula of [M₅(DATr)_12~14(H₂O)₆](ClO₄)₁₀ (M = Mn (1), Co (2), Ni (3), Zn (4)) about their synthesis, structures and some energetic properties (such as sensitivities tests) have been described, where the DATr here denotes 3,4-diamino-1,2,4-triazole. These four compounds are all light metallic complexes with good thermal stability. The structures of 2-4 were determined by single-crystal X-ray diffraction, and the crystal structures mainly consist of penta-nuclear units. All the structures have a common interesting property in which DATr plays a role of bi-dentate ligand. Besides, it is observed from the crystal structure of 4 that DATr can be also act as a mono-dentate ligand. Thermodynamic studies of their decomposition properties and kinetic parameters show that the four complexes have high thermal stabilities. Furthermore, tests of their impact and friction sensitivities show that complexes (2) and (3) can be potential candidates as primary explosives to replace toxic lead azide.