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Author(s):   Hahndorf, I.; Lee, H.Y.; Mebel, A.M.; Lin, S.H.; Lee, Y.T.; Kaiser, R.I.
Title:   A Combined Crossed Beam and Ab Initio Investigation on the Reaction of Carbon Species with C4H6 Isomers. I. The 1,3-Butadiene Molecule
Journal:   J. Chem. Phys.
Volume:   113
Page(s):   9622 - 9636
Year:   2000
Reference type:   Journal article
Squib:   2000HAH/LEE9622-9636

Reaction:   1,3-Butadiene + C → Products
Reaction order:   2
Rate expression:   no rate data available
Category:  Experiment
Data type:   Mechanistic information only
Experimental procedure:   Molecular beam
Analytical technique:   Mass spectrometry
Comments:   Carbon atom adds barrierlessly to butadiene, forming vinylcyclopropylidene. This undergoes a ring opening to a long lived vinyl-substituted triplet allene. Complex loses H atoms to generate 1- and 3-vinylpropargyl radicals with a branching ration of 8:1. A minor channel leads to formation of vinyl and propargyl radicals.

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