Preparation, Crystal and Properties of Nitrogen-Rich Energetic Salt of Bis(semicarbazide) 5,5'-Bitetrazole-1,1'-diolate

A novel energetic salt of Bis(semicarbazide) 5,51-bitetrazole-1,11-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, 13C 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 P21/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.