Theoretical kinetic study of the formation reactions of methanol and methyl hypohalites in the gas phase.

CH(3)OX molecules (X = H, F, Cl and Br) can be formed in the atmosphere by the CH(3) + OX and CH(3)O + X recombination reactions. In the present study the results of a theoretical analysis of the kinetics and thermochemistry of this class of reactions are presented. The molecular properties of the reactants and products were derived from ab initio calculations. The high-pressure limiting rate constants for the recombination reactions were evaluated using a version of the statistical adiabatic channel model. The kinetic equations derived in this study allow a description of the kinetics of the reactions under investigation in the temperature range of 200-500 K.