Abstract:A novel energetic salt of Bis(semicarbazide) 5,5 1 -bitetrazole-1,1 1 -diolate [2(SCZ)¨BTO] was synthesized by using semicarbazide hydrochloride and 1H,1'H-5,5'-bitetrazole-1,1'-diol (BTO) as raw materials, and its structure was characterized by elemental analysis, Fourier Transform infrared spectroscopy (FT-IR) spectroscopy, 13 C NMR spectrum and mass spectrum. The single crystal of the title salt was obtained and its structure was determined by an X-ray single-crystal diffractometer. Results show that 2(SCZ)¨BTO belongs to the monoclinic space group P2 1 /c with a density of 1.685 g¨cm´3. The thermal decomposition behavior was investigated by differential scanning calorimetry (DSC) and thermogravimetry-derivative thermogravimetry (TG-DTG) analyses, and non-isothermal kinetic parameters were also calculated. The results indicated that it has a good thermal stability with a decomposition temperature above 200˝C. The apparent activation energies were 231.2 kJ¨mol´1 (Kissinger's method) and 228.1 kJ¨mol´1 (Ozawa-Doyle's method), respectively, and the critical temperature of thermal explosion is 240.6˝C. The enthalpy of formation for the salt was calculated as 158.1 kJ¨mol´1. The detonation pressure (P) and detonation velocities (D) of the salt were determined by using the Kamlet-Jacobs equation. The results indicated that the title salt has potential applications in the field of energetic materials.