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Author(s):   Hoyermann, K.; Nothdurft, J.; Olzmann, M.; Wehmeyer, J.; Zeuch, T.
Title:   Formation and decomposition of chemically activated cyclopentoxy radicals from the c-C5H9+O reaction
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   3165 - 3173
Year:   2006
Reference type:   Journal article
Squib:   2006HOY/NOT3165-3173

Reaction:   Cyclopentyl + → cyclopentoxy (chemically activated)
Reaction order:   2
Reference reaction:   Cyclopentyl + → Products
Reference reaction order:   2
Temperature:   298 K
Pressure:  4.00E-3 bar
Rate expression:   6.8x10-1±5.0x10-2
Category:  Experiment
Data type:   Relative rate value measured
Pressure dependence:   None reported
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Discharge
Time resolution:   By end product analysis
Analytical technique:   Fourier transform (FTIR)
Comments:   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.

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