Pushing the Performance Boundaries of Highly Energetic Bis(1,2,4-triazoles) through Merging Dual Strategies of C-Azo Bridging and N-Nitramino Functionalization

In this work, by combining the energetic -N═N-, -NO₂, and N-NH₂/N-NHNO₂ groups with triazole, N-amino compound 3 and N-nitramino compound 4 were synthesized. Compound 3 has a unique crystal structure, exhibiting enhanced energetic properties (V = 8996 m s^-1, and P = 34.0 GPa) and stability (T_d = 202 °C, IS = 21 J, and FS = 216 N) comparable to that of hexogen (RDX). Compound 4 exhibits a high density (1.91 g cm^-3) and excellent detonation performance (V = 9627 m s^-1, and P = 41.0 GPa), and hydroxylammonium salt 5b exhibits exceedingly excellent detonation performance (V = 9677 m s^-1, and P = 41.3 GPa).