Alkane Elimination From Ionized Alkanols

Article abstract of DOI:10.1002/oms.1210170305

The energetics, metastable characteristics and doughter ion structures for the loss of small alkane molecules from ionized 2-prpanol, 2-butanol and 3-pentanol have been examined in detail. <2-propanol>(1+)(*) ions lose CH4 to generate the keto and enol forms of (1+)(*) and the same doughter ions are produced by loss of C2H6 from <2-butanol>(1+)(*).Ionized 3-pentanol does not lose CH4 but readily eliminates C2H6 to produce the enol ion (1+)(*).The last reaction was shown to proceed by a simple 1,2 elimination mechanizm in the μs time-frame; isotope effects are also discussed.