报告题目：Versatile N-functionalization Strategies of Nitrogen-rich Azoles: Extending the Chemistry of High Energy Density Materials

　　报告人：Dr. Ping Yin, University of Idaho

　　报告时间：2016年5月6日上午10:00

　　报告地点：5号楼502-1会议室

　　报告人简介：

　　Ping Yinreceived B.A. at Southwest Jiaotong University in 2007 and a Ph.D. at Sichuan University in 2012. He then joined the research group of Professor Jean’ne M. Shreeve at the University of Idaho, United States. His current research interests are focused on the synthesis of nitrogen-rich heterocycles and their applications as energetic materials. Representative publications: Acc. Chem. Res. 2016, 49, 4−16; J. Am. Chem. Soc. 2015, 137, 4778−4786; Angew. Chem. Int. Ed. 2015, 54, 14721–14725; Angew. Chem. Int. Ed. 2014, 53, 12889−12892.

　　报告简介:

　　Following the footprint of Alfred Nobel on dynamite, modern high energy density materials (HEDMs) have been developed for more than a century and a half. Nowadays energetic materials involving explosives, propellants, and pyrotechnics are widely applied in both military and civilian areas, such as aerospace science, weapons research, and mining engineering. At the molecular level, most explosives fit the design motif which combines the organic backbone with explosophores. Featuring high heats of formation with good thermal stability, five-membered azoles, e.g. pyrazole, imidazole, triazole, tetrazole and fused polycyclic scaffolds are very promising for the design of advanced HEDMs.

　　In comparison to the traditional C-functionalization strategy, N-functionalization become the trendsetting motif to extend chemistry of HEDMs. Herein diversified explosophores, e.g., amino, trinitroethylamino, azo, and nitroamino were introduced into N-positions of nitrogen-rich azoles. Based on the comparative experimental properties and computational analysis, it is shown that N-functionalization provides a favorable toolbox to tailor energetic performance and molecular stability of nitrogen-rich azoles.