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 language | English |
|---|---|
| Pages (from-to) | 8415-8427 |
| Number of pages | 13 |
| Journal | Journal of Physical Chemistry B |
| Volume | 109 |
| Issue number | 17 |
| DOIs | |
| Publication status | Published - May 5 2005 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
Cite this
Product study of the reaction of CH 3 with OH radicals at low pressures and temperatures of 300 and 612 K. / Fockenberg, Christopher; Weston, Ralph E.; Muckerman, James.
In: Journal of Physical Chemistry B, Vol. 109, No. 17, 05.05.2005, p. 8415-8427.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Product study of the reaction of CH 3 with OH radicals at low pressures and temperatures of 300 and 612 K
AU - Fockenberg, Christopher
AU - Weston, Ralph E.
AU - Muckerman, James
PY - 2005/5/5
Y1 - 2005/5/5
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=18844422755&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=18844422755&partnerID=8YFLogxK
U2 - 10.1021/jp045792o
DO - 10.1021/jp045792o
M3 - Article
VL - 109
SP - 8415
EP - 8427
JO - Journal of Physical Chemistry B Materials
JF - Journal of Physical Chemistry B Materials
SN - 1520-6106
IS - 17
ER -