On the Mechanism of the BrO + CH2O Reaction

The mechanism of the reaction of BrO + CH{sub 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{sub 2}O by BrO radicals. The activation energy barrier for the process is estimated as 219 {+-} 3 kcal mol{sup {minus}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{sub 2}O reaction has been estimated by using transition state theory.