OH radical induced oxidation of 2,3-dimethylbutane in air

Journal Article · Thu Oct 15 04:00:00 EDT 1992 · Journal of Physical Chemistry

DOI:https://doi.org/10.1021/j100200a036· OSTI ID:263598

Heimann, G; Warneck, P ^[1]

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1. Max-Planch-Institut fuer Chemie, Mainz (Germany)

The product distribution resulting from the OH induced oxidation of 2,3-dimethylbutane in air was measured and compared with predictions based on a general reaction mechanism. Relative rates derived for the abstraction of primary and tertiary hydrogen atoms by OH radicals from the parent compound are 17% and 83%, respectively. The branching ratio for the alcohol versus alkoxyl radical producing pathways of the self-reaction of 2-propylperoxy radicals was determined to be (0.61 {plus_minus} 0.08):(0.39 {plus_minus} 0.08); the corresponding ratio for the self-reaction of primary 2,3-dimethylbutylperoxy radicals is (0.56 {plus_minus} 0.07):(0.44 {plus_minus} 0.07). Large amounts of 2,3-dimethyl-2-hydroperoxybutane and small amounts of 2,3-dimethyl-2-butanol were found, the latter as a product of the cross combination reactions of 2,3-dimethyl-2-butylperoxy with 2-propylperoxy and 2,3-dimethyl-1-butylperoxy radicals. Rate constants of 3.5 x 10{sup {minus}17} and 2 x 10{sup {minus}16} cm{sup 3}/(molecule s), respectively, were estimated for these reactions with the help of computer simulations. 25 refs., 6 figs., 4 tabs.

• Sponsoring Organization: USDOE
• OSTI ID: 263598
• Journal Information: Journal of Physical Chemistry, Journal Name: Journal of Physical Chemistry Journal Issue: 21 Vol. 96; ISSN JPCHAX; ISSN 0022-3654
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
ALKANES
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COMPUTER CALCULATIONS
HYDROXYL RADICALS
OXIDATION