Kinetics Database Logo     Home
©NIST, 2023
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):   Golan, A.; Ahmed, M.; Mebel, A. M.; Kaiser, R. I.
Title:   A VUV photoionization study of the multichannel reaction of phenyl radicals with 1,3-butadiene under combustion relevant conditions
Journal:   Phys. Chem. Chem. Phys.
Volume:   15
Page(s):   341 - 347
Year:   2013
Reference type:   Journal article
Squib:   2013GOL/AHM341-347

Reaction:   1,2-butadiene + Phenyl·CH3 + Phenylallene
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. No rate constant values were calculated. The results were used to rationalize the results of an experimental study where phenyl radicals were mixed to a flow of 1,3-butadiene and final products of the sequuence of ensuing reactions were detected using VAU photoionization mass spectrometry at 873 K.

View full bibliographic record.