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Author(s):   Zavala-Oseguera, C.; Alvarez-Idaboy, J.R.; Merino, G.; Galano, A.
Title:   OH Radical Gas Phase Reactions with Aliphatic Ethers: A Variational Transition State Theory Study
Journal:   J. Phys. Chem. A
Volume:   113
Page(s):   13913 - 13920
Year:   2009
Reference type:   Journal article
Squib:   2009ZAV/ALV13913-13920

Reaction:   (C2H5)2O + ·OH → Other Products + H2O
Reaction order:   2
Temperature:   280 - 400 K
Rate expression:   2.63x10-11 [cm3/molecule s] e-1548 [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 variational transition state theory with tunneling correction. Branching fractions of individual abstraction channels at T = 280 - 400 K and overall rate constants at T = 400 - 2000 K are presented in the the supporting information for the article in a tabular format.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
280 1.35E-11
300 1.41E-11
325 1.48E-11
350 1.54E-11
375 1.60E-11
400 1.65E-11