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

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.