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

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