Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance upgrade on Thursday 4th of May 2017 from 8.00am to 9.00am (BST).

During this time our websites will be offline temporarily. If you have any questions please use the feedback button on this page. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 31, 2007
Previous Article Next Article

Kinetics and mechanism of the gas phase reaction of chlorine atoms with i-propanol

Author affiliations

Abstract

FTIR smog chamber techniques and ab initio calculations have been used to investigate the kinetics and mechanism of the reaction of Cl atoms with i-propanol in 700 Torr of N2 at 296 K. The reaction is observed to proceed with a rate constant of k1 = (8.28 ± 0.97) × 10−11 cm3 molecule−1 s−1 and gives CH3C(OH)CH3 and CH3CH(OH)CH2 radicals in yields of 85 ± 7 and 15 ± 7%, respectively. Calculations indicate that abstraction of the secondary H can proceed through a lower energy pathway than the primary. Rapid decomposition of the chlorination product CH3CCl(OH)CH3 complicates its direct detection, likely due to heterogeneous chemistry. IR spectra for the chlorides CH3CCl(OH)CH3 and CH3CH(OH)CH2Cl were inferred experimentally and assignments confirmed via comparison with ab initio computed spectra.

Graphical abstract: Kinetics and mechanism of the gas phase reaction of chlorine atoms with i-propanol

Back to tab navigation
Please wait while Download options loads

Publication details

The article was received on 26 Feb 2007, accepted on 24 May 2007 and first published on 15 Jun 2007


Article type: Paper
DOI: 10.1039/B702933K
Citation: Phys. Chem. Chem. Phys., 2007,9, 4211-4217
  •   Request permissions

    Kinetics and mechanism of the gas phase reaction of chlorine atoms with i-propanol

    T. Yamanaka, M. Kawasaki, M. D. Hurley, T. J. Wallington, W. F. Schneider and J. Bruce, Phys. Chem. Chem. Phys., 2007, 9, 4211
    DOI: 10.1039/B702933K

Search articles by author