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

Abstract

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New Thermolysis Routes of Diaminodinitroethylene (DADNE)

“…This is also the whole complex of reactions proceeding via the formation of the aci forms of DADNE with ΔH a ranging from 195 to 203 kJ mol −1 . These values correspond, as a whole, to the theoretical and experimental data [12, 23, 30]. Note that the reaction variant of hydrogen transfer to carbon with NO 2 detachment affords reactive species: radicals capable of reacting with DADNE and initiating thermolysis via the bimolecular mechanism.…”

“…However, the examination of various routes of DADNE thermolysis demonstrated [12] that the channel proceeding via the hydrogen transfer to carbon has the lowest activation energy [12]. This result was confirmed and a similar conclusion was made by the authors on the basis of the experimental and theoretical data [23]. Thus, the mechanism of the rate‐determining step of DADNE thermolysis remains disputable.…”