Synthesis and Investigation of 2,3,5,6-Tetra-(1H-tetrazol-5-yl)pyrazine Based Energetic Materials.

The structures and properties of several energetic compounds based on a high-nitrogen-content anion, namely 2,3,5,6-tetra(1H-tetrazol-5-yl)pyrazine (H4 TTP) are reported here for the first time. These energetic salts were synthesized by reacting H4 TTP with various alkali metal hydroxides (sodium, potassium, rubidium, caesium) and N-based (ammonia, hydrazine, hydroxylamine, guanidine carbonate, aminoguanidine bicarbonate). The resulting materials were comprehensively characterized by multinuclear (1 H, 13 C) NMR spectroscopy, infrared spectroscopy, elemental analysis, DSC, as well as low-temperature single-crystal X-ray diffraction. Heats of formation for the metal-free species as well as detonation parameters were calculated. The presented energetic materials (EMs) show high thermal stability (207 °C≤Tdec ≤300 °C), while the metal-free ionic derivatives exhibit desirable properties such as detonation velocity (6873 m s-1 ≤VC-J ≤8364 m s-1 ), detonation pressure (14.3 GPa≤pC-J ≤24.9 GPa), and specific impulse (141.4≤Isp ≤192.5 s).