Synthesis, Structure, and Energetic Properties of 1,5‐Diaminotetrazolium Sulfate Salts

1,5‐diaminotetrazolium chloride (DATC) and 1,5‐diaminotetrazolium sulfate (DATS) were synthesized in this work. The structures of DATS and DATC were characterized. The single crystal of DATS was first cultured, and its structure was analyzed. The thermal behavior of DATS was investigated. The activation energy and pro‐exponential factor were calculated, E k = 120.86 KJ/mol, A k = 10 12.96 s −1 . The density, heat of formation, detonation pressure, and detonation velocity of DATS were first calculated. The detonation pressure and detonation velocity of DATS are P = 11.877 GPa, D = 5.617 km s −1 , which are smaller than those of 1,5‐diaminotetrazolium nitrate (DATN) ( P = 33.3GPa, D = 8.77 km s −1 ).