Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences


Rate Our Products and Services


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

NIST home page

MML home page

Chemical Sciences Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Altarawneh, M.;Dlugogorski, B.Z.;Kennedy, E.M.;Mackie, J.C.
Title:   Quantum chemical study of low temperature oxidation mechanism of dibenzofuran
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   13560 - 13567
Year:   2006
Reference type:   Journal article
Squib:   2006ALT/DLU13560-13567

Reaction:   1-dibenzofuranylperoxy → 2-benzofuranyl + C2H2 + CO + CO
Reaction order:   1
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry, reaction paths were analyzed, and rate constants were calculated using transition state theory. However, no Arrhenius expression is given for the k(T) dependence and the values of rate constant are not presented. Instead, rate constant values are used to qualitatively analyze the main reactive pathways.

View full bibliographic record.