Kinetics Database Logo     Home
©NIST, 2022
Accessibility information
Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Contact Us to Submit an Article



Other Databases

NIST Standard Reference Data Program

NIST Chemistry Web Book

NDRL-NIST Solution Kinetics Database

NIST Computational Chemistry Comparison and Benchmark Database

The NIST Reference on Constants, Units, and Uncertainty


Administrative Links

DOC home page

NIST home page

MML home page

Chemical Sciences Division

Applied Chemicals and Materials Division

Author(s):   Kaiser, R.I.; Zhang, F.T.; Gu, X.B.; Kislov, V.V.; Mebel, A.M.
Title:   Reaction dynamics of the phenyl radical (C6H5) with 1-butyne (HCCC2H5) and 2-butyne (CH3CCCH3)
Journal:   Chem. Phys. Lett.
Volume:   481
Page(s):   46 - 53
Year:   2009
Reference type:   Journal article
Squib:   2009KAI/ZHA46-53

Reaction:   1-butyne + PhenylBenzene,1,2-butadienyl- +
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:   Thermal
Time resolution:   By end product analysis
Analytical technique:   Mass spectrometry
Comments:   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.

View full bibliographic record.