Abstract
AbstractThe energetics, metastable characteristics and daughter ion structures for the loss of small alkane molecules from ionized 2‐propanol, 2‐butanol and 3‐pentanol have been examined in detail. [2‐Propanol]+˙ ions lose CH4 to generate the keto and enol forms of [C2H4O]+˙ and the same daughter ions are produced by loss of C2H6 from [2‐butanol]+˙. Ionized 3‐pentanol does not lose CH4 but readily eliminates C2H6 to produce the enol ion [CH3CHCHOH]+˙. The last reaction was shown to proceed by a simple 1,2 elimination mechanism in the μs time‐frame; isotope effects are also discussed.
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