Synthesis, Structure, and Characterization of 3, 4′-Bis-1H-1, 2,4-triazolium Picrate Salt: A New High-Energy Density Material

The environmentally friendly high‐energy density salt (TRTR)(PA) (TRTR = 3, 4′‐bis‐1, 2,4‐1H‐triazole, PA = 2, 4,6‐trinitrophenol, picric acid) was synthesized and characterized. The X‐ray single crystal diffraction results illustrate that the structure of title salt belongs to the monoclinic system, space group P21/c. Many parallel relationships exist in the molecule, as well as a strong intramolecular π–π stacking interaction. The DSC result shows only one exothermal decomposition step at 229.1 °C. The TG‐DTG curve demonstrates a 75.9 % mass loss from 180 °C to 300 °C at a rate of 3.01 %·K–1. Experimental data show that the combustion heat approximately equals to TNT (–15.22 MJ·kg–1) and the enthalpy of formation is +332.2 kJ·mol–1. Non–isothermal kinetic and thermodynamic parameters were obtained by two methods (Kissinger and Ozawa). Detonation pressure and velocity were calculated to be 23.4 GPa and 7.32 km·s–1, respectively. Additionally, the sensitivities towards impact and friction were assessed with relevant standard methods.