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Accessibility information
Author(s):   Somnitz, H.
Title:   Quantum chemical and dynamical characterization of the reaction OH+SO2 <-> HOSO2 over an extended range of temperature and pressure
Journal:   Phys. Chem. Chem. Phys.
Volume:   6
Page(s):   3844 - 3851
Year:   2004
Reference type:   Journal article
Squib:   2004SOM3844-3851

Reaction:   HOSO2·OH + SO2
Reaction order:   1
Temperature:   150 - 1500 K
Rate expression:   4.34x1014 [s-1] e-108080 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Quantum chemical calculations were used to evaluate reaction PES. RRKM / Master Equation calculations were performed on tha basis of this PES information. The resultant pressure and temperature dependences are reported.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
150 1.00E-23
200 2.57E-14
300 6.60E-5
400 3.34E0
500 2.22E3
600 1.69E5
700 3.74E6
800 3.81E7
900 2.32E8
1000 9.82E8
1100 3.20E9
1200 8.57E9
1300 1.97E10
1400 4.03E10
1500 7.48E10