Product study of the reaction of CH 3 with OH radicals at low pressures and temperatures of 300 and 612 K

Christopher Fockenberg, Ralph E. Weston, James T. Muckerman

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

The product distribution for the title reaction was studied using our time-of-flight mass spectrometer (TOFMS) connected to a tubular flow reactor. The methyl and hydroxyl radicals were produced by an excimer laser pulse (λ = 193 nm) photolyzing acetone and nitrous oxide in the presence of excess water or hydrogen. Helium was used as the bath gas; the total density was held constant at 1.2 × 10 17 cm -3. At 300 K the observations were consistent with singlet methylene ( 1CH 2) and water as the main product channel with a small contribution of methanol. In contrast, at about 610 K three channels - formaldehyde isomers and methanol in addition to 1CH 2 + H 2O - are formed with similar yields. When acetone-d 6 was used, the production of both CHDO and CD 2O was observed, indicating that two different formaldehyde-producing channels are operating simultaneously. These experimental results are compared with RRKM and master equation calculations on the basis of the properties of the methanol potential energy surface from a recent ab initio study.

Original languageEnglish
Pages (from-to)8415-8427
Number of pages13
JournalJournal of Physical Chemistry B
Volume109
Issue number17
DOIs
Publication statusPublished - May 5 2005

    Fingerprint

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

Cite this