Bis(4-nitraminofurazanyl-3-azoxy)azofurazan and Derivatives: 1,2,5-Oxadiazole Structures and High-Performance Energetic Materials

Yuji Liu, Jiaheng Zhang*, Kangcai Wang, Jinshan Li, Qinghua Zhang, Jean'ne M. Shreeve

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


Bis(4-nitraminofurazanyl-3-azoxy)azofurazan (1) and ten of its energetic salts were prepared and fully characterized. Computational analysis based on isochemical shielding surface and trigger bond dissociation enthalpy provide a better understanding of the thermal stabilities for nitramine-furazans. These energetic compounds exhibit good densities, high heats of formation, and excellent detonation velocity and pressure. Some representative compounds, for example, 1 (vD: 9541 m s−1; P: 40.5 GPa), and 4 (vD: 9256 m s−1; P: 38.0 GPa) exhibit excellent detonation performances, which are comparable with current high explosives such as RDX (vD: 8724 m s−1; P: 35.2 GPa) and HMX (vD: 9059 m s−1; P: 39.2 GPa).

Original languageEnglish
Pages (from-to)11548-11551
Number of pages4
JournalAngewandte Chemie - International Edition
Issue number38
StatePublished - 12 Sep 2016
Externally publishedYes


  • computational chemistry
  • energetic materials
  • heats of formation
  • heterocycles
  • structure elucidation


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