文章基本信息

标题：Solid-state Reaction of Azolium Hydrohalogen Salts with Silver Dicyanamide – Unexpected Formation of Cyanoguanidine-azoles, Reaction Mechanism and Their Hypergolic Properties
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作者：Wei Liu ; Qiu-han Lin ; Yu-chuan Li 等
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2015
卷号：5
DOI：10.1038/srep10915
出版社：Springer Nature
摘要：Cyanoguanidines as well as azoles are important bioactive groups, which play an important role in the medical application; meanwhile, the high nitrogen content makes them excellent backbones for energetic materials. A Novel and simple method that combined these two fragments into one molecular compound was developed through the transformation of dicyanamide ionic salts. In return, compounds 4 – 11 were synthesized, and fully characterized by IR, MS, NMR and elemental analysis. Meanwhile, the structures of compounds 4 , 8 and 11 were confirmed by X-ray crystal diffraction. Detailed reaction mechanisms were studied through accurate calculations on the reaction energy profiles of the azolium cations and DCA anion, which revealed the essence of the transformation proceeding. Meanwhile, compound 8 exhibits excellent hypergolic property, which could be potentially novel molecular hypergolic fuel.