Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole†

Abstract

Amino-1,2,4-triazole- and amino-1,3,4-oxadiazole-substituted 1-hydroxytetrazole derivatives were synthesised via a simple method. These compounds exhibited excellent detonation performance and stability owing to their high density and heat of formation, extensive hydrogen bonding network, and π-electronic stacking. Notably, as a new energetic co-crystal, ATTO-N₂H₄ exhibited superior energy performance (D_v = 9306 m s⁻¹, P = 31.3 GPa) compared to 1,3,5,7-tetranitro-1,3,5,7-tetranitro-heterocycle (HMX) and exhibited excellent thermal stability (T_d = 329.0 °C). This study provides a new perspective on the design and preparation of insensitive high-energy compounds.