Abstract
A SACM/CT study of the FC(O)O+FC(O)OO→FC(O)OOO(O)CF, FS(O2)O+FS(O2)OO→FS(O2)OOO(O2)SF, FC(O)OO+FS(O2)O→FC(O)OOO(O2)SF and FC(O)O+FS(O2)OO→FC(O)OOO(O2)SF recombination reactions and their reverse dissociation processes was performed. The electronic energy along the reaction pathways was calculated at the G3S(MP2)//B3LYP/6-311+G(3df) level of theory. The respective high pressure rate coefficients obtained at 298K are 3.2×10−12, 4.3×10−13, 8.5×10−13, 1.1×10−12cm3molecule−1s−1. The first calculated value compares very well with the available experimental one. From the corresponding thermal dissociation rate coefficients, lifetimes of about 170 days, 4 days and 1min are predicted for FC(O)OOO(O)CF, FC(O)OOO(O2)SF and FS(O2)OOO(O2)SF.
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