Synthesis,Structure, and Characterization of 3, 4′‐Bis‐1H‐1, 2,4‐triazolium Picrate Salt: A New High‐Energy Density Material |
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Authors: | Zhenhao Mi Yan‐Gang Bi Yong‐An Feng Tonglai Zhang |
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Affiliation: | State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, P. R. China |
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Abstract: | 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. |
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Keywords: | Energetic salt 3, 4′ ‐Bis‐1H‐1, 2,4‐triazole Picric acid Kinetics Thermodynamics |
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