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Accessibility information
Author(s):   da Silva, G.
Title:   Hydroxyl radical regeneration in the photochemical oxidation of glyoxal: kinetics and mechanism of the HC(O)CO + O2 reaction
Journal:   Phys. Chem. Chem. Phys.
Volume:   12
Page(s):   6698 - 6705
Year:   2010
Reference type:   Journal article
Squib:   2010DAS6698-6705

Reaction:   OC(·)C(O)OOH → HC(O)C(O)O2
Reaction order:   1
Temperature:   200 - 2000 K
Rate expression:   2.23x1010 [s-1] (T/298 K)2.32 e-75345 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
200 1.85E-10
300 1.72E-3
400 6.39E0
500 9.97E2
600 3.12E4
700 3.86E5
800 2.65E6
900 1.23E7
1000 4.29E7
1100 1.22E8
1200 2.97E8
1300 6.39E8
1400 1.25E9
1500 2.26E9
1600 3.82E9
1700 6.14E9
1800 9.43E9
1900 1.39E10
2000 1.99E10