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Author(s):   Sivaramakrishnan, R.; Michael, J.V.; Harding, L.B.; Klippenstein, S.J.
Title:   Shock Tube Explorations of Roaming Radical Mechanisms: The Decompositions of Isobutane and Neopentane
Journal:   J. Phys. Chem. A
Volume:   116
Page(s):   5981 - 5989
Year:   2012
Reference type:   Journal article
Squib:   2012SIV/MIC5981-5989

Reaction:   iso-C4H102-C3H7 + ·CH3
Reaction order:   1
Reference reaction:   iso-C4H10 → Products
Reference reaction order:   1
Temperature:   1279 - 1566 K
Pressure:  0.30 - 1.01 bar
Rate expression:   7.9x10-1±5.0x10-2
Category:  Experiment
Data type:   Relative rate value measured
Pressure dependence:   Rate constant is pressure independent
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Vis-UV absorption
Comments:   The other major channel of the reaction is the "roaming radical" channel producing methane and isobutene. A small fraction of the overall reaction (5%, according to the theoretical part of the study) produces isopropyl radical that isomerizes to n-propyl, which is followed by the latter's decomposition to the methyl radical and ethylene. This minor channel does not produce H atoms and thus is not detected by the experimental technique. Thus, the estimated branching fraction of the roaming radical channel is 1 - 0.79 - 0.05 = 0.16.

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