Kinetics Database Resources
Simple Reaction Search
Search Reaction Database
Search Bibliographic Database
Set Unit Preferences
Rate Our Products and Services
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
NIST home page
MML home page
Chemical Sciences Division
Hoyermann, K.; Nothdurft, J.; Olzmann, M.; Wehmeyer, J.; Zeuch, T.|
Formation and decomposition of chemically activated cyclopentoxy radicals from the c-C5H9+O reaction
J. Phys. Chem. A
3165 - 3173
Cyclopentyl + O· → cyclopentoxy (chemically activated)
Cyclopentyl + O· → Products
Reference reaction order:
Pressure: 4.00E-3 bar
Relative rate value measured
Static or low flow - Data taken vs time
By end product analysis
Fourier transform (FTIR)
Branching ratio for formation of the chemically activated c-C5H9O intermediate, which subsequently reacts in a number of ways. Products were quantitatively identified from the FTIR reaction spectra and assigned to the addition or H abstraction channels.
Carbon centered radicals R were produced from the reaction of F atoms (microwave discharge of F2/He) with the precursor RH species: RH + F -> R + HF. O atoms were produced via the microwave discharge of O2/He mixtures.
A theoretical analysis of the chemically activated decomposition of c-C5H9O was performed with energies of intermediates and transition
states calculated at the G2(MP2) level of theory. Channel branching is discussed in terms of statistical unimolecular rate theory based on molecular properties and thermochemical data
from quantum chemical calculations. Arrhenius parameters and thermodynamic data are derived and are in fair agreement with the experimental results.
View full bibliographic record.