OH Radical Induced Oxidation of 2,3-Dimethylbutane in Air

Article abstract of DOI:10.1021/j100200a036

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 17percent and 83percent, respectively.The branching ratio for the alcohol versus alkoxyl radical producing pathsways of the self-reaction of 2-propylperoxy radicals was determined to be (0.61 +/- 0.08):(0.39 +/- 0.08); the corresponding ratio for the self-reaction of primary 2,3-dimethylbutylperoxy radicals is (0.56 +/- 0.07): 0.44 +/- 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 * 10^-17 and 2 * 10^-16 cm^-3/(molecule s), respectively, were estimated for these reactions with the help of computer simulations.