A Facile and Versatile Synthesis of Energetic Furazan-Functionalized 5-Nitroimino-1,2,4-Triazoles |
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Authors: | Zhen Xu Prof Guangbin Cheng Dr Hongwei Yang Prof Xuehai Ju Dr Ping Yin Prof Jiaheng Zhang Prof Jean'ne M Shreeve |
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Institution: | 1. School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, 210094 China;2. Department of Chemistry, University of Idaho, Moscow, ID, 83844-2343 USA;3. School of Materials Science and Engineering, Harbin Institute of Technology, Shenzhen, 518055 China |
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Abstract: | An analogue-oriented synthetic route for the formulation of furazan-functionalized 5-nitroimino-1,2,4-triazoles has been explored. The process was found to be straightforward, high yielding, and highly efficient, and scalable. Nine compounds were synthesized and the physicochemical and energetic properties, including density, thermal stability, and sensitivity, were investigated, as well as the energetic performance (e.g., detonation velocities and detonation pressures) as evaluated by using EXPLO5 code. Among the new materials, compounds 4 – 6 and 11 possess high densities, acceptable sensitivities, and good detonation performances, and thereby demonstrate the potential applications as new secondary explosives. |
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Keywords: | Dichtefunktionalrechnungen Energetische Materialien Heterocyclen Röntgen-Beugung Strukturaufklärung |
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