NIST Chemical Kinetics Database

Author(s):   Zhu, R. S.; Lin, M. C.
Title:   Ab initio chemical kinetics for ClO reactions with HOx, ClOx and NOx (x=1, 2): A review
Journal:   Comput. Theor. Chem.
Volume:   965
Page(s):   328 - 339
Year:   2011
Reference type:   Journal article
Squib:   2011ZHU/LIN328-339

Reaction:   ClNO₂ → NO₂ + ·Cl
Reaction order:   1
Temperature:   400 - 1500 K
Rate expression:   1.53x10¹⁵ [s^-1] (T/298 K)^-1.89 e^{-140307 [J/mole]/RT}
Category: Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Potential energy surfaces for a series of reactions were studied using quantum chemistry. Rate constants were calculated using transition state theory and, for pressure-dependent rate constants, master equation methods.

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [s^-1]
400	4.17E-4
500	1.26E0
600	2.48E2
700	1.03E4
800	1.63E5
900	1.36E6
1000	7.27E6
1100	2.82E7
1200	8.58E7
1300	2.18E8
1400	4.78E8
1500	9.37E8