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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:   ·OH + SO2HOSO2
Reaction order:   2
Temperature:   150 - 400 K
Rate expression:   4.5x10-13 [cm3/molecule s] (T/298 K)1.06 e2952 [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) [cm3/molecule s]
150 2.32E-12
175 1.95E-12
200 1.74E-12
225 1.62E-12
250 1.54E-12
275 1.50E-12
300 1.48E-12
325 1.47E-12
350 1.47E-12
375 1.48E-12
400 1.49E-12