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Title: PAH Formation under Single Collision Conditions: Reaction of Phenyl Radical and 1,3-Butadiene to Form 1,4-Dihydronaphthalene
Journal: J. Phys. Chem. A
Volume: 116
Page(s): 4248 - 4258
Year: 2012
Reference type: Journal article
Squib: 2012KAI/PAR4248-4258
Reaction:
1,3-Butadiene + Phenyl → H· + 1-Phenyl-1,3-butadiene(E)
Reaction order:
2
Rate expression:
no rate data available
Category: Experiment
Data type:
Mechanistic information only
Pressure dependence:
None reported
Experimental procedure:
Molecular beam
Excitation technique:
Flash photolysis (laser or conventional)
Time resolution:
By end product analysis
Analytical technique:
Mass spectrometry
Comments:
The reactions of the phenyl radical with 1,3-butadiene and D6-1,3-butadiene as well as of the D5-phenyl radical with 2,3-D2-1,3-butadiene and 1,1,4,4-D4-1,3-butadiene were studied under crossed molecular beams conditions at collision energies of about 55 kJ/mol. Experimentally and theoretically, the bicyclic and aromatic 1,4-dihydronaphthalene molecule was identified as a major product of this reaction with the 1-phenyl−1,3-butadiene being a less prominent contributor. Other H + C10H10 product pathways are minor.
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