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Author(s):   Feng, W.H.; Hershberger, J.F.
Title:   Kinetics and Mechanism of the NCCO plus NO Reaction
Journal:   J. Phys. Chem. A
Volume:   114
Page(s):   6843 - 6849
Year:   2010
Reference type:   Journal article
Squib:   2010FEN/HER6843-6849

Reaction:   NCCO + NOCO + ONCN
Reaction order:   2
Reference reaction:   CCNO + NO → Products
Reference reaction order:   2
Temperature:   298 K
Pressure:  4.27E-3 bar
Rate expression:   6.0x10-2
Rate constant is an upper limit.
Category:  Experiment
Data type:   Relative rate value measured
Pressure dependence:   None reported
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Flash photolysis (laser or conventional)
Time resolution:   In real time
Analytical technique:   IR absorption
Comments:   The reaction mechanism was investigated by calculating the potential energy surface (PES) using ab initio methods. The PES shows that pathways leading to bimolecular/trimolecular product channels involve high barriers. Both experiment and theory therefore indicate that the major pathway is formation and collisional stabilization of an NCC(NO)O adduct.

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