Multiple Hydrogen-Bond Modification of [1,2,5]Oxadiazolo[3,4-]pyridine 1-Oxide Framework Enables Access to Low-Sensitivity High-Energy Materials.

In this work, a fused-ring [1,2,5]oxadiazolo[3,4-]pyridine 1-oxide framework with multiple modifiable sites was utilized to develop novel energetic materials with multiple hydrogen bonds. The prepared materials were characterized, and their energetic properties were extensively investigated. Among those studied, compound exhibited high densities of 1.925 g cm at 295 K and 1.964 g cm at 170 K, with high detonation performances (: 8793 m s and : 32.8 GPa), low sensitivities (: 20 J, : 288 N), and good thermal stability (: 223 °C). -Oxide compound had higher-energy explosive (: 8854 m s and : 34.4 GPa) and low sensitivities (: 15 J and : 240 N). Compound with a high enthalpy group (tetrazole) was determined as a high-energy explosive (: 8851 m s, : 32.4 GPa). Notably, the detonation properties of compounds , , and were similar to high-energy explosive RDX (: 8801 m s and : 33.6 GPa). The results indicated that compounds and were potential low-sensitivity high-energy materials.