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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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