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Accessibility information
Author(s):   Zhu, R.S.; Lin, M.C.
Title:   Ab initio studies of ClOx reactions. VIII. Isomerization and decomposition of ClO2 radicals and related bimolecular processes
Journal:   J. Chem. Phys.
Volume:   119
Page(s):   2075 - 2082
Year:   2003
Reference type:   Journal article
Squib:   2003ZHU/LIN2075-2082

Reaction:   ClOOO2 + ·Cl
Reaction order:   1
Temperature:   160 - 500 K
Rate expression:   4.49x1014 [s-1] (T/298 K)-0.46 e-21368 [J/mole]/RT
Bath gas:   O2
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Rate equation derived using energies and transition states obtained with density functional ab initio results.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
160 6.32E7
175 2.40E8
200 1.42E9
225 5.59E9
250 1.67E10
275 4.07E10
300 8.52E10
325 1.59E11
350 2.70E11
375 4.26E11
400 6.35E11
425 9.02E11
450 1.23E12
475 1.62E12
500 2.07E12