Synthesis,Characterization,and DFT of A Novel Reactive Phosphorus Flame Retardant

摘要：

　　An efficient synthesis of the reactive phosphorus flame retardant had been developed based on triazine.The stepwise synthesis of the functionalized compound 7 was presented.The chemical structure of the product was investigated with IH NMR and elemental analysis while the thermal stability was studied by TG analysis.The reaction mechanism of 7,which was synthesized from the compound 4 and 6,was investigated using the density functional theory (DFT) of quantum chemistry.At the GGA-PW91/DND level,the geometry optimizations of the reactant and the product were performed,which showed that the calculated results was agreed with that of the experiment.

关键词： reactive flame retardant triazine derivant synthesis reaction mechanism density functional theory

作者: Fuyu Sur Guizhe Zhao Peihua Zhao Qianqian Tian Mei Zhang Yaqing Liu

作者单位: Shool of Materials Science and Engineering of North University of China,Taiyuan 030051,China;Research Center for Engineering Technology of Polymeric Composites of Shanxi Province,North University of China,Taiyuan 030051,China

会议类型: 国际会议

会议名称: 2012 International Conference on Intelligent System and Applied Material(2012智能系统与应用材料国际会议)(GSAM2012)

会议地点: 太原

会议语种:英文

页码: 293-297

在线出版日期: 2012-01-13（万方平台首次上网日期，不代表论文的发表时间）