Energetic aminated-azole assemblies from intramolecular and intermolecular N–H⋯O and N–H⋯N hydrogen bonds. Issue 52 (8th June 2016)

• Record Type: Journal Article
• Authors: He, Chunlin; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Is Part Of: Chemical communications. Volume 52:Issue 52(2016)
• Page Start: 8123
• Page End: 8126
• Publication Date: 2016-06-08
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/c6cc03833f
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : Extensive H-bond interactions in four aminated azoles give them comprehensive properties, such as high density, good thermal stability and reasonable sensitivity as well as high detonation performance. Abstract : Compounds with adjacent C–NO2, C–NH2 and N–NH2 groups were designed and synthesized via amination. Their structures were characterized by infrared, and multinuclear NMR spectroscopy, elemental analysis, and X-ray single crystal diffraction. The effect of intramolecular and intermolecular N–H⋯O and N–H⋯N hydrogen bonds is discussed. Detonation properties were calculated by EXPLO 5 software based on calculated HOFs and experimental densities.