Abstract
Abstract The G2MP2 theoretical procedure is used to calculate the potential energy surface for the decomposition of methyl hypofluorite (CH 3 OF). Geometries, vibrational frequencies and relative energies for the various stationary points have been obtained. The theoretical heats of reaction are in good agreement with the experimental values. CH 3 OF is stable with respect to the production of CH 3 O+F, CH 3 +OF, CH 2 +HOF and H 2 +HCOF, respectively, but unstable with respect to loss of HF and to isomerization. The major unimolecular decomposition channel of CH 3 OF involves the formation of HF and CH 2 O.
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