Abstract
The most important decomposition channels of methyl hypofluorite are studied using high level quantum mechanical techniques. The calculated critical energy barriers show that the O–F bond scission and the two-center 1,2 HF elimination are the main decomposition pathways in analogy with the similar CH 3OCl and CH 3OBr systems. The principal decomposition products, H 2CO+HF, are shown to be formed through two possible competing pathways, the synchronous single-step HF elimination and a two-step mechanism via the O–F bond breaking channel.
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