Constructing high-performance and stable energetic salts through enhanced conjugation and increased hydrogen bonds

The pursuit of novel energetic materials with enhanced energy and safety represents an enduring challenge. Towards this goal, we employed the energetic salts to design and synthesize a metal salt ( 1 ) as well as three nitrogen-rich energetic salts ( 2 , 3 , 4 ) derived from 1,2-bis(4,5-di(1H-tetrazol-5-yl)-2H-1,2,3-triazol-2-yl) diazene ( NL24 ). The title compounds were fully characterized using Infrared Spectroscopy (IR), Nuclear Magnetic Resonance Spectroscopy (NMR), and elemental analysis. The structures of the salts 1 , 2 and 4 were further confirmed by single crystal X-ray analysis. The results showed that the physiochemical properties of 1 were improved, including thermal stability ( T d = 281 °C), and explosive performance ( V D = 9200 m s −1 ). Besides, the physicochemical stability of hydrazine salt ( 4 ) reached the optimum level, including thermal stability ( T d = 294 °C) and mechanical sensitivity (IS = 25 J, FS = 220 N). In addition, the structure-property relationship was elucidated through investigation of the crystal structure and the noncovalent interactions of 1 , 2 and 4 . This study has augmented the detonation efficacy and stability of NL24 through the synthesis of high-energy salts, thereby expanding the application domain of NL24 from a primary to a secondary explosive. • A metal salt ( 1 ) as well as three nitrogen-rich energetic salts ( 2 , 3 , 4 ) derived from NL24 . • Potassium salt 1 has the highest enthalpy of formation (5.20 kJ g −1 ) and detonation performance (9200 m s −1 , 35.33 GPa). • Hydrazine salt 4 has the highest decomposition temperature (294 °C), and the lowest mechanical sensitivity (25 J, 220 N).