[CH3COH]˙+, the central intermediate in the isomerization–dissociation reactions of ionized vinyl alcohol
Abstract
In complete agreement with experimental results ab initio molecular orbital calculations predict that ionized hydroxy(methyl)carbene, [CH3COH]+, does not only exist as a stable C2H4O˙+ isomer but also serves as the key intermediate in the isomerization–dissociation processes of the cation radical of gaseous vinyl alcohol.