5, 6-Di(2-fluoro-2, 2-dinitroethoxy)furazano[3, 4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties. Issue 62 (9th August 2017)

• Record Type: Journal Article
• Authors: Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan
• Is Part Of: RSC advances. Volume 7:Issue 62(2017)
• Page Start: 38844
• Page End: 38852
• Publication Date: 2017-08-09
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c7ra07035g
• Languages: English
• ISSNs: 2046-2069

Abstract

Abstract : A new high-energetic and insensitive melt-cast material was synthesized, and its polycrystalline properties were characterized and theoretically investigated. Abstract : 5, 6-Di(2-fluoro-2, 2-dinitroethoxy)furazano[3, 4- b ]pyrazine was synthesized in a three-step process starting from 3, 4-diaminofurazan (DAF) including a significant nucleophilic substitution reaction under the catalytic effect of trisodium phosphate dodecahydrate. Characterization of this molecule indicates that it possesses a higher crystal density than that of 2, 4, 6-trinitrotoluene (TNT) at ambient temperature with acceptable melting-point and energetic properties approaching those of 1, 3, 5-trinitro-1, 3, 5-triazacyclohexane (RDX) but with a higher thermal stability and lower sensitivity towards impact and friction. To investigate its polycrystalline properties, differential scanning calorimetry (DSC), powder-X-ray-diffraction (PXRD) and ab initio calculation using the Viena Ab initio simulation package (VASP) were employed.