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3,5-difluoro-2,4,6-trinitrophenol: A high-energy compound born under the “NO2FNO2” construction strategy
Propellants, Explosives, Pyrotechnics ( IF 1.7 ) Pub Date : 2023-12-07 , DOI: 10.1002/prep.202300184 Jin Zhu 1 , Cong Li 1 , Suming Jing 1 , Lei Yang 1 , Yucun Liu 1 , Wei Zhang 2 , Jun Zhang 3
Propellants, Explosives, Pyrotechnics ( IF 1.7 ) Pub Date : 2023-12-07 , DOI: 10.1002/prep.202300184 Jin Zhu 1 , Cong Li 1 , Suming Jing 1 , Lei Yang 1 , Yucun Liu 1 , Wei Zhang 2 , Jun Zhang 3
Affiliation
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3,5-Difluoro-2,4,6-trinitrophenol (DFTNP) was designed as energetic compounds, based on the “NO2FNO2” strategy. Its structure was fully characterized by IR, NMR, elemental analysis, and single-crystal X-ray diffraction. Physico-chemical characterization of this compound was investigated based on several theoretical techniques. The result indicated that DFTNP is less sensitive to external stimuli, with a thermal sensitivity of 213 °C, impact and friction sensitivity of 15 J and 240 N. It also shows particularly high density (ρ=1.949 g cm−3) and detonation performance (D=8440 m s−1, P=32.60 GPa), which far exceeds the performance of picric acid. Its crystal packing and the intermolecular interaction of DFTNP play an important role inreducing localized heating. In addition, this compound also has great potential for building ionic salts, and its ammonium salt performance exhibits better performance. Good performance not only highlight this compound as a suitable replacement for picric acid, but also suggests that “NO2FNO2” may be a good choice in designing energetic compounds.
中文翻译：
3,5-二氟-2,4,6-三硝基苯酚：“NO2FNO2”构建策略下诞生的高能化合物
3,5-二氟-2,4,6-三硝基苯酚（DFTNP）是基于“NO 2 FNO 2 ”策略设计的含能化合物。其结构通过红外、核磁共振、元素分析和单晶X射线衍射得到了充分表征。基于多种理论技术对该化合物的物理化学表征进行了研究。结果表明，DFTNP对外界刺激的敏感性较低，热敏感性为213℃，冲击和摩擦敏感性为15J和240N。它还表现出特别高的密度（ρ=1.949 g cm -3）和爆轰性能(D=8440 m s -1 , P=32.60 GPa)，远远超过苦味酸的性能。DFTNP 的晶体堆积和分子间相互作用在减少局部加热方面发挥着重要作用。此外，该化合物在构建离子盐方面也具有巨大潜力，其铵盐性能表现出更好的性能。良好的性能不仅凸显了该化合物作为苦味酸的合适替代品，而且表明“NO 2 FNO 2 ”可能是设计含能化合物的不错选择。
更新日期：2023-12-07
中文翻译：
3,5-二氟-2,4,6-三硝基苯酚：“NO2FNO2”构建策略下诞生的高能化合物
3,5-二氟-2,4,6-三硝基苯酚（DFTNP）是基于“NO 2 FNO 2 ”策略设计的含能化合物。其结构通过红外、核磁共振、元素分析和单晶X射线衍射得到了充分表征。基于多种理论技术对该化合物的物理化学表征进行了研究。结果表明，DFTNP对外界刺激的敏感性较低，热敏感性为213℃，冲击和摩擦敏感性为15J和240N。它还表现出特别高的密度（ρ=1.949 g cm -3）和爆轰性能(D=8440 m s -1 , P=32.60 GPa)，远远超过苦味酸的性能。DFTNP 的晶体堆积和分子间相互作用在减少局部加热方面发挥着重要作用。此外，该化合物在构建离子盐方面也具有巨大潜力，其铵盐性能表现出更好的性能。良好的性能不仅凸显了该化合物作为苦味酸的合适替代品，而且表明“NO 2 FNO 2 ”可能是设计含能化合物的不错选择。
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