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Author(s):   Nguyen, V.S.; Elsamra, R.MI.; Peeters, J.; Carl, S.A.; Nguyen, M.T.
Title:   Experimental and theoretical study of the reaction of the ethynyl radical with nitrous oxide, C2H + N2O
Journal:   Phys. Chem. Chem. Phys.
Volume:   14
Page(s):   7456 - 7470
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012NGU/ELS7456-7470

Reaction:   ·C2H + N2O → Products
Reaction order:   2
Temperature:   300 - 2500 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants for the overall reaction were calculated using transition state theory with tunneling correction. Rate constants were calculated for a wide range of temperatures; however, no Arrhenius expression is given for the k(T) dependence. Instead, rate constants for individual temperatures are presented in a tabular format. HCCO + N2 is predicted to be the major product channel. HCNN + CO products are likely to represed a minor channel. All other channels have prohibitively high energy barriers.

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