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Author(s):   Czarnowski, J.;Cobos, C.J.
Title:   Formation of perfluorobutene-2 epoxide in the thermal gas-phase reaction of perfluorobutene-2 with nitrogen dioxide. An experimental and DFT study
Journal:   Z. Phys. Chem.
Volume:   220
Page(s):   1595 - 1608
Year:   2006
Reference type:   Journal article
Squib:   2006CZA/COB1595-1608

Reaction:   Perfluorobutene-2 epoxide → CF3COF + CF3CF
Reaction order:   1
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. No rate constant values were calculated.
In the experimental part of the work, the reaction between perfluorobutene-2 and NO2 was studied between 418.5 and 470 K. Formation of perfluorobutene-2 epoxide and NO was observed at lower temperature while at higher temperatures the perfluorobutene-2 epoxide product decomposes to CF3CFO and the CF3CF biradical. No rate constant values were derived.

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