The mechanism of the reaction of BrO + CH 2 O has been examined using density functional and quadratic configuration interaction molecular orbital methods. The most favorable pathway is found to be the abstraction of hydrogen from CH 2 O by BrO radicals. The activation energy barrier for the process is estimated as 2.9 ± 3 kcal mol -1 . Results from discharge flow/mass spectroscopy experiments support the finding that the major products of the reaction are HOBr and HCO radicals. The rate of the BrO + CH 2 O reaction has been estimated by using transition state theory.
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Hansen et al. (1999) studied this question.
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