ic1c00877_si_001.pdf (860.44 kB)
Download file

1,3,4,5-Tetraamino-1,2,4-triazolium Cation: An Energetic Moiety

Download (860.44 kB)
journal contribution
posted on 11.06.2021, 20:04 by Sebastian R. Yocca, Joseph Yount, Matthias Zeller, Edward F. C. Byrd, Davin G. Piercey
The amination of 3,4,5-triamino-1,2,4-triazole with O-tosylhydroxylamine yielded the nitrogen-rich 1,3,4,5-tetraamino-1,2,4-triazolium cation as its tosylate salt. Subsequent metathesis reactions produced energetic salts with various energetic anions, including perchlorate, nitrate, nitrotetrazolate, and bistetrazolate diolate. All energetic salts possess relatively high heats of formation, thermal sensitivities, and detonation velocities and pressures. The prepared energetic salts were characterized chemically using single-crystal X-ray crystallography, elemental analysis, and 1H NMR, 13C NMR, and IR spectroscopy and energetically by measuring their thermal, impact, and friction sensitivities. 15N NMR was carried out on the tosylate salt. Energetic performances were determined by a combined experimental-computational method using calculated heats of formation and experimental crystal densities.