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Chemical Sciences Division
Applied Chemicals and Materials Division
Badenes, M.P.; Croce, A.E.; Cobos, C.J.;
Experimental and theoretical study of the recombination reaction F + FC(O)O + M -> FC(O)OF + M
Phys. Chem. Chem. Phys.
747 - 755
He + ·F + FC(O)O· → He + FC(O)OF
200 - 400
1.55x10-29 [cm6/molecule2 s] (T/298 K)-2.90
Transition state theory
Rate constant is low pressure limit
Static or low flow - Data taken vs time
Flash photolysis (laser or conventional)
In real time
This expression is the derived low pressure limit (for He bath gas) from analysis of pressure dependence using RRKM calculations.
This work is a combined experimental and computational study of the reaction of FC(O)O radicals. Ab initio G3 calculations were used to look at the energetics of the possible reaction pathways. Typical total pressures were 30-747 torr He, 17-201 torr CF4, 10-81 torr FC(O)OO(O)CF. Temperature was 295(2) K. FC(O)O and F radicals produced by 193 nm excimer laser photolysis of FC(O)OO(O)CF. FC(O)O radicals detected in real time using absorption at 545 nm from a Xenon arc lamp.
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Rate constant values calculated from the Arrhenius expression:
|T (K)||k(T) [cm6/molecule2 s]|