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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:   2
Temperature:   160 - 500 K
Rate expression:   8.88x10-32 [cm3/molecule s] (T/298 K)-5.88 e-27271 [J/mole]/RT
Bath gas:   O2
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) [cm3/molecule s]
160 4.30E-39
175 1.47E-38
200 6.99E-38
225 2.16E-37
250 5.00E-37
275 9.41E-37
300 1.52E-36
325 2.21E-36
350 2.94E-36
375 3.65E-36
400 4.32E-36
425 4.90E-36
450 5.37E-36
475 5.74E-36
500 6.00E-36