The geometries, vibrational spectra, and relative energetics of the formati
on of OBrO radicals during the reaction between hydroxyl radicals and HOBrO
have been examined by using various ab initio methods. The heat of reactio
n for the formation of OBrO radicals from the reaction between HO and HOBrO
is -37.0 kcal mol(-1), while the energy barrier for activation of the reac
tion is 3.9 kcal mol-1. Results suggest that the reaction between HO and HO
BrO species could serve as a minor source of OBrO radicals in the atmospher
e. (C) 2001 Published by Elsevier Science B.V.