Experimental and theoretical investigation of the product channels of the O + CH{sub 3} reaction

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The product channels of the O({sup 3}P)+CH{sub 3} reaction was investigated. In the experimental part, the branching fraction for formaldehyde production (O+CH{sub 3}{r_arrow}H{sub 2}CO+H) was measured at room temperature in a tubular flow reactor coupled to a photoionization mass spectrometer. The reactants (CH{sub 3} and O) were generated homogeneously in the reactor by simultaneous {ital in}{ital situ} 193-nm photolysis of acetone and SO{sub 2}. Formaldehyde yield relative to the methyl radicals consumed (branching fraction) was determined to be 1.0{+-}0.15. In the theoretical part, calculations of the energetics of possible decomposition pathways of the energy-rich methoxy radical initially formed in the ... continued below

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27 p.

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Slagle, I.R.; Kalinovski, I.J.; Gutman, D. & Harding, L.B. May 1, 1994.

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Description

The product channels of the O({sup 3}P)+CH{sub 3} reaction was investigated. In the experimental part, the branching fraction for formaldehyde production (O+CH{sub 3}{r_arrow}H{sub 2}CO+H) was measured at room temperature in a tubular flow reactor coupled to a photoionization mass spectrometer. The reactants (CH{sub 3} and O) were generated homogeneously in the reactor by simultaneous {ital in}{ital situ} 193-nm photolysis of acetone and SO{sub 2}. Formaldehyde yield relative to the methyl radicals consumed (branching fraction) was determined to be 1.0{+-}0.15. In the theoretical part, calculations of the energetics of possible decomposition pathways of the energy-rich methoxy radical initially formed in the O+CH{sub 3} reaction indicate that the dominant channel for decomposition is C-H bond cleavage leading to atomic hydrogen and formaldehyde. A possible, minor, secondary channel is hydrogen migration, followed by O-H bond cleavage, leading to the same final products. No energetically competitive pathways leading to H{sub 2}, HCO, HOC, or CO could be found.

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27 p.

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OSTI as DE97001020

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  • Other Information: PBD: May 1994

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  • Other: DE97001020
  • Report No.: ANL/CHM/PP--83287
  • Grant Number: FG05-89ER14015;W-31109-ENG-38
  • DOI: 10.2172/402420 | External Link
  • Office of Scientific & Technical Information Report Number: 402420
  • Archival Resource Key: ark:/67531/metadc674457

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Office of Scientific & Technical Information Technical Reports

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  • May 1, 1994

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  • July 25, 2015, 2:20 a.m.

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  • Dec. 14, 2015, 6:21 p.m.

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Slagle, I.R.; Kalinovski, I.J.; Gutman, D. & Harding, L.B. Experimental and theoretical investigation of the product channels of the O + CH{sub 3} reaction, report, May 1, 1994; Illinois. (digital.library.unt.edu/ark:/67531/metadc674457/: accessed October 19, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.