火炸药学报2009，Vol.32Issue(3)：38-40,49,4.
苦基呋咱醚化合物的性能预估
Properties Prediction of Picryl Furazan Ether Compounds
来蔚鹏 1葛忠学 1邱少君 1廉鹏 1薛永强2
作者信息
- 1. 西安近代化学研究所,陕西,西安,710065
- 2. 太原理工大学应用化学系,山西,太原,030024
- 折叠
摘要
Abstract
In order to obtain high energy density materials with good properties, picryl furazan compounds with oxy bridges were designed. These compounds were picryl (3-nitrofurazan-4) ether (FOP), bis (3-nitrofurazan-4) picryl ether(DFOP) and tri (3-nitrofurazan-4) picryl ether(TFOP) . The densities of formation, enthalpies, detonation properties and stabilities of these compounds were calculated by B3LYP/6-31G method, Kamlet formula and experiential formula of H50. The results show that,the density, enthalpy of formation and detonation property of obtuse picryl compounds increased when introducing nitrofurazan unit to the compounds. The stabilities of furazan compounds can be improved when introducing picryl to the compounds.关键词
计算化学/苦基呋咱醚/高能量密度材料/呋咱化合物/性能预估Key words
computation chemistry/picryl furazan ether/high energy density material/furazan compound/properties prediction分类
军事科技引用本文复制引用
来蔚鹏,葛忠学,邱少君,廉鹏,薛永强..苦基呋咱醚化合物的性能预估[J].火炸药学报,2009,32(3):38-40,49,4.
