title: The Many Faces of FOX-7: A Precursor to High-Performance Energetic Materials.
abstract: New derivatives of 1,1-diamino-2, 2-dinitroethene (FOX-7) are reported. These highly oxygen- and nitrogen-rich compounds were fully characterized using IR and multinuclear NMR spectroscopy, elemental analysis (EA), and differential scanning calorimetry (DSC). X-ray structure determination of (E)-1,2-bis{(E)-2-chloro-1-(chloroimino)-2,2-dinitroethyl}diazene) (10), N1, N2-dichloro-1, 2-diazenedicarboximidamide (11), and (E,E)-N,N'-1,2-ethanediylidenebis(2, 2-dinitro-2-chloro-ethanamine) (12) was helpful in their characterization. Heats of formation (HOF) were calculated (Gaussian 03) and combined with experimental densities to estimate the detonation velocities (D) and pressures (P) of the high-energy-density materials (HEDMs) (EXPLO5, v6.01). The compounds exhibit good thermal stability, high density, positive HOF, acceptable oxygen balances, and excellent detonation properties, which often are superior to that of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX).
authors.affiliation: Department of Applied Chemistry, China Agricultural University, Beijing, 100193 (China). hxgao@cau.edu.cn.
authors.forename: Haixiang
authors.initials: H
authors.lastname: Gao
authors.affiliation: Department of Chemistry, University of Idaho, Moscow, ID 83844-2343 (USA). jshreeve@uidaho.edu.
authors.forename: Jean'ne M
authors.initials: JM
authors.lastname: Shreeve
mesh_terms: D002152:Calorimetry, Differential Scanning; D018360:Crystallography, X-Ray; D053834:Explosive Agents / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D009574:Nitro Compounds / Q000737:chemistry*; D013055:Spectrophotometry, Infrared
chemical_list: C533965:1,1-diamino-2,2-dinitroethene; D053834:Explosive Agents; D009574:Nitro Compounds
keywords: FOX-7; X-ray diffraction; detonation performance; energetic materials; nitrogen oxides