Synthesis, Structure, and Properties of Planar Asymmetric 1,2,4,5‐Tetrazine‐Based Compounds

Designing and developing new high‐performance high‐nitrogen materials and their applications in solid propellants have become the primary research focus for researchers. Herein, asymmetric tetrazine derivatives and ionic salts were successfully synthesized for the first time. Tests demonstrate that these high‐nitrogen compounds exhibit low mechanical sensitivities (IS > 50 J, FS > 360 N). Moreover, these compounds were found to have good enthalpies of formation (349.8–524.2 kJ·mol −1 ). Furthermore, the compounds also demonstrate satisfactory thermal stability ( T d = 147.6°C–268.5°C). We conducted single‐crystal x‐ray diffraction (single‐crystal XRD) on three ionic salts, and found that they possess superior planar molecular structures, which further indicates their good stability.