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Author(s):   Badenes, M.P.; Croce, A.E.; Cobos, C.J.;
Title:   Experimental and theoretical study of the recombination reaction F + FC(O)O + M -> FC(O)OF + M
Journal:   Phys. Chem. Chem. Phys.
Volume:   6
Page(s):   747 - 755
Year:   2004
Reference type:   Journal article
Squib:   2004BAD/CRO747-755

Reaction:   CF4 + ·F + FC(O)O·CF4 + FC(O)OF
Reaction order:   3
Temperature:   295 K
Rate expression:   3.3x10-29 [±7.0x10-30 cm6/molecule2 s]
Bath gas:   CF4
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Flash photolysis (laser or conventional)
Time resolution:   In real time
Analytical technique:   Vis-UV absorption
Comments:   This expression is the derived low pressure limit (for CF4 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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