The Many Faces of FOX-7: A Precursor to High-Performance Energetic Materials
The Many Faces of FOX-7: A Precursor to High-Performance Energetic Materials
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DOI：
10.1002/anie.201501973
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发表时间：
2015-05-18
影响因子：
16.6
通讯作者：
Shreeve, Jean'ne M.
中科院分区：
文献类型：
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作者：
Gao, Haixiang;Shreeve, Jean'ne M.
本文报道了1，1-二氨基-2，2-二硝基乙烯（FOX-7）的新衍生物。这些高度氧和氮丰富的化合物，充分其特征在于使用IR和多核NMR光谱，元素分析（EA），和差示扫描量热法（DSC）。X-射线衍射法测定了（E）-1，2-双（（E）-2-氯-1-（氯亚氨基）-2，2-二硝基乙基}二氮烯）（10）、N_1，N_2-二氯-1，2-二氮烯二甲酰亚胺酰胺（11）和（E，E）-N，N-1，2-亚乙烷基双（2，2-二硝基-2-氯乙胺）（12）的结构。计算生成热（霍夫）（Gaussian 03），并与实验密度相结合，以估算高能量密度材料（HEDM）的爆速（D）和压力（P）（EXPLO 5，v6.01）。这些化合物具有良好的热稳定性、高密度、正霍夫、可接受的氧平衡和优异的爆轰性能，这些性能通常上级1，3，5-三硝基氢化-1，3，5-三嗪（RDX）。
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 (Gaussian03) 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).