Synthesis and characterization of salts based on 1,2-bis(5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)diazene

Abstract. The azo-bridged compound 1,2-bis(5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)diazene represents a promising building block for the design of novel energetic salts with tunable properties. In this work, we report the synthesis and characterization of five salts of this azo compound, obtained by proton transfer or coordination with hydroxylamine, ammonia, sodium, potassium, and rubidium. These salts were prepared under mild conditions and characterized using elemental analysis, NMR, and single-crystal X-ray diffraction where possible. Density measurements reveal systematic increases from the ammonia to rubidium salts, correlating with calculated detonation pressures and velocities obtained using EXPLO5. These results highlight how cation selection modulates the structural and energetic characteristics of azo-linked triazole frameworks, opening pathways toward tailored, stable, and high-performance energetic salts.