title: Solid-state Reaction of Azolium Hydrohalogen Salts with Silver Dicyanamide--Unexpected Formation of Cyanoguanidine-azoles, Reaction Mechanism and Their Hypergolic Properties.
abstract: 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.
authors.affiliation: 1] School of Materials Science and Engineering, Beijing Institute of Technology, Beijing, 100081, China [2] Beijing Centre For Physical and Chemical Analysis, Beijing, 100089, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Liu
authors.affiliation: School of Chemical Engineering and Environment, Nanjing Institute of Technology, Nanjing, 210094, China.
authors.forename: Qiu-han
authors.initials: QH
authors.lastname: Lin
authors.affiliation: School of Materials Science and Engineering, Beijing Institute of Technology, Beijing, 100081, China.
authors.forename: Yu-chuan
authors.initials: YC
authors.lastname: Li
authors.affiliation: School of Materials Science and Engineering, Beijing Institute of Technology, Beijing, 100081, China.
authors.forename: Peng-wan
authors.initials: PW
authors.lastname: Chen
authors.affiliation: Academy of Aerospace Propulsion Technology, Beijing, China.
authors.forename: Tao
authors.initials: T
authors.lastname: Fang
authors.affiliation: School of Chemistry, Beijing Institute of Technology, Beijing, 100081, China.
authors.forename: Ru-bo
authors.initials: RB
authors.lastname: Zhang
authors.affiliation: 1] School of Materials Science and Engineering, Beijing Institute of Technology, Beijing, 100081, China [2] State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, China.
authors.forename: Si-ping
authors.initials: SP
authors.lastname: Pang