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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:   HC(O)C(O)O2 → OC(·)C(O)OOH
Reaction order:   1
Temperature:   200 - 2000 K
Rate expression:   2.26x1010 [s-1] (T/298 K)2.66 e-52861 [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 1.22E-4
300 1.44E1
400 6.19E3
500 2.69E5
600 3.64E6
700 2.50E7
800 1.11E8
900 3.67E8
1000 9.84E8
1100 2.26E9
1200 4.61E9
1300 8.58E9
1400 1.48E10
1500 2.41E10
1600 3.73E10
1700 5.54E10
1800 7.93E10
1900 1.10E11
2000 1.50E11