Synthesis, thermal behavior, and energetic properties of diuronium 1H,1′H-5,5′-bistetrazole-1,1′-diolate salt

A new nitrogen-rich energetic salt called diuronium 1H,1′H-5,5′-bistetrazole-1,1′-diolate (DUBTO) was first synthesized by reacting urea with 1H,1′H-5,5′-bistetrazole-1,1′-diolate dihydrate (H2BTO 2H2O). The structure of this new energetic salt was fully characterized through single-crystal X-ray diffraction, FT-IR, 1H NMR, 13C NMR, and elemental analysis. DUBTO was crystallized in the monoclinic space group P21/n. The thermal stability was investigated through differential scanning calorimetry (DSC) and thermogravimetric tandem infrared spectrometry. Results showed that DUBTO contained one endothermic process and two exothermic processes. The second exothermic process is mainly intense exothermic decomposition with a mass loss of approximately 69.3% in the temperature range of 523.8-594.6 K. The non-isothermal kinetic parameters of the main exothermic process were calculated based on methods proposed by Kissinger and Ozawa-Doyle. Based on the Kamlet-Jacobs formula, the detonation velocity and detonation pressure of DUBTO were calculated as 8267 m s−1 and 29.15 GPa, respectively.