Diaminouronium Nitriminotetrazolates - Thermally Stable Explosives

Diaminouronium 5-nitriminotetrazolate (1) and diaminouronium 1-methyl-5-nitrimino-tetrazolate (2) were synthesized by the reaction of diaminourea with 5-nitriminotetrazole (3) and 1-methyl-5-nitriminotetrazole (4), respectively. The energetic compounds 1 and 2 were fully characterized by single-crystal X-ray diffraction, NMR spectroscopy, IR- and Raman spectroscopy as well as DSC measurements. The sensitivities towards impact, friction and electrical discharge were determined. Several detonation parameters (e. g. heat of explosion, detonation velocity) were computed by the EXPLO5 computer code based on calculated (CBS-4M) heats of formation and Xray densities. In addition, the detonation velocity of 1 was experimentally determined and compared to the computed values.