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含能材料  2015 

多硝基双吡啶的合成、表征和理论研究(英)

DOI: 10.11943/j.issn.1006-9941.2015.05.018

Keywords: 合成

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Abstract:

以2-氨基-6-氯-3, 5-二硝基吡啶为原料,经C—N偶联反应和叠氮化取代反应,设计/合成了一种新化合物N-(6-叠氮基-3, 5-二硝基吡啶-2-基)-2, 6-二氨基-3, 5-二硝基吡啶,总产率为69%。用1H NMR、13C NMR、质谱和元素分析鉴定了其结构,在DFT-B3LYP/6-31G**水平下预估该化合物的的爆速为7.89 km·s-1,爆压为28.37 GPa。表明,该化合物比2, 4, 6-三硝基甲苯(TNT)有更好的爆轰性能

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