On the Mechanism of Thermal Decomposition of 1,1-Diamino-2,2-dinitroethene (FOX-7) and its Cyclic Derivatives

被引：11
|
作者：
Krisyuk, Boris E. [1 ]
Zakharov, Viktor V. [1 ]
Chukanov, Nikita V. [1 ]
机构：
[1] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Moscow Region, Russia
来源：
CENTRAL EUROPEAN JOURNAL OF ENERGETIC MATERIALS | 2020年 / 17卷 / 01期
关键词：
quantum-chemical calculations; FOX-7; thermal decomposition; DSC; TG; ENERGY DENSITY MATERIAL;
D O I：
10.22211/cejem/118513
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
The thermal decomposition of 1,1-diamino-2,2-dinitroethene (I) and its cyclic derivatives 2-(dinitromethylene)-1,3-diazacyclopentane (II), 2-(dinitromethylene)- 1,3-diazacyclohexane (III) and 2-(dinitromethylene)1,3-diazacycloheptane (IV) was investigated by quantum chemistry methods (PBE/cc-pVDZ), as well as DSC and TG. According to both the theoretical and experimental data, the thermal stability of compounds I-IV increases in the sequence IV < I approximate to III < II.
引用
收藏
页码：20 / 30
页数：11
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