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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:   O2 + ·ClClOO
Reaction order:   3
Temperature:   160 - 1000 K
Rate expression:   1.02x10-32 [cm6/molecule2 s] (T/298 K)-5.34 e-5612 [J/mole]/RT
Bath gas:   He
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure dependent
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) [cm6/molecule2 s]
160 4.15E-33
200 2.93E-33
250 1.75E-33
300 1.04E-33
350 6.27E-34
400 3.91E-34
450 2.51E-34
500 1.66E-34
550 1.13E-34
600 7.87E-35
650 5.60E-35
700 4.06E-35
750 3.00E-35
800 2.24E-35
850 1.71E-35
900 1.31E-35
950 1.02E-35
1000 8.07E-36