Bis(4‐nitraminofurazanyl‐3‐azoxy)azofurazan and Derivatives: 1, 2, 5‐Oxadiazole Structures and High‐Performance Energetic Materials. (11th August 2016)

• Record Type: Journal Article
• Authors: Liu, Yuji; Zhang, Jiaheng; Wang, Kangcai; Li, Jinshan; Zhang, Qinghua; Shreeve, Jean'ne M.
• Is Part Of: Angewandte Chemie. Volume 128:Number 38(2016)
• Page Start: 11720
• Page End: 11723
• Publication Date: 2016-08-11
• Subjects: Bildungswärmen -- Computerchemie -- Energetische Materialien -- Heterocyclen -- Strukturaufklärungn; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201606378
• Languages: English
• ISSNs: 0044-8249

Abstract

Abstract: 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 ( v D : 9541 m s −1 ; P : 40.5 GPa), and4 ( v D : 9256 m s −1 ; P : 38.0 GPa) exhibit excellent detonation performances, which are comparable with current high explosives such as RDX ( v D : 8724 m s −1 ; P : 35.2 GPa) and HMX ( v D : 9059 m s −1 ; P : 39.2 GPa).