NIST Chemical Kinetics Database

Author(s):   Saheb, V.; Alizadeh, M.; Rezaei, F.; Shahidi, S.
Title:   Quantum chemical and theoretical kinetics studies on the reaction of carbonyl sulfide with H, OH and O(P-3)
Journal:   Comput. Theor. Chem.
Volume:   994
Page(s):   25 - 33
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012SAH/ALI25-33

Reaction:   COS + O· → CO + SO
Reaction order:   2
Temperature:   200 - 2500 K
Rate expression:   3.49x10^-11 [cm³/molecule s] (T/298 K)^0.60 e^{-20200 [J/mole]/RT}
Category: Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory.

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [cm³/molecule s]
200	1.46E-16
300	1.06E-14
400	9.58E-14
500	3.69E-13
600	9.25E-13
700	1.81E-12
800	3.03E-12
900	4.55E-12
1000	6.35E-12
1100	8.38E-12
1200	1.06E-11
1300	1.30E-11
1400	1.56E-11
1500	1.82E-11
1600	2.09E-11
1700	2.37E-11
1800	2.66E-11
1900	2.95E-11
2000	3.24E-11
2100	3.54E-11
2200	3.83E-11
2300	4.13E-11
2400	4.43E-11
2500	4.73E-11