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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 → OC(·)OOH + CO
Reaction order:   1
Temperature:   200 - 2000 K
Rate expression:   3.37x1013 [s-1] (T/298 K)0.50 e-43995 [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 8.96E1
300 7.40E5
400 7.02E7
500 1.10E9
600 7.05E9
700 2.68E10
800 7.37E10
900 1.63E11
1000 3.09E11
1100 5.24E11
1200 8.17E11
1300 1.19E12
1400 1.66E12
1500 2.20E12
1600 2.84E12
1700 3.55E12
1800 4.34E12
1900 5.21E12
2000 6.14E12