Correlations between rate parameters and calculated molecular properties in the reactions of the hydroxyl radical with hydrofluorocarbons

A study of the reactivity of the hydroxyl radical towards a series of hydrocarbons and fluorinated hydrocarbons has been carried out. The activation energy (Ea), the logarithm of the pre-exponential A factor, and the logarithm of the room temperature rate coefficient (k) all correlate strongly with the calculated ionization potential (IP) of the organic reactant. Using these correlations, the accuracy of the experimental database of reaction-rate parameters is examined, and predictions are made of rate parameters for related reactions that have not, as yet, been measured.