화학공학소재연구정보센터
Journal of Physical Chemistry B, Vol.109, No.17, 8415-8427, 2005
Product study of the reaction of CH3 with OH radicals at low pressures and temperatures of 300 and 612 K
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 x 1011 cm(-3). At 300 K the observations were consistent with singlet methylene ((CH2)-C-1) 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 (CH2)-C-1 + H2O-are formed with similar yields. When acetone-d6 was used, the production of both CHDO and CD2O 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.