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Kaiser, R.I.; Zhang, F.T.; Gu, X.B.; Kislov, V.V.; Mebel, A.M.
Reaction dynamics of the phenyl radical (C6H5) with 1-butyne (HCCC2H5) and 2-butyne (CH3CCCH3)
Chem. Phys. Lett.
46 - 53
1-butyne + Phenyl → Benzene,1,2-butadienyl- + H·
no rate data available
Mechanistic information only
By end product analysis
The crossed beams reaction of the phenyl radical with 1-butyne was studied under single collision conditions. The crossed beams data were combined with electronic structure calculations. The reaction was found to follow indirect scattering dynamics and is initiated by additions of the phenyl radical with its radical center to the acetylenic carbon atoms. The reaction intermediates fragmented through the ejection of hydrogen atoms yielding 1-phenyl-3-methylallene and 1-phenyl-1-butyne.
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