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Keto and enol forms of methyl acetate molecular ions, their stability and interconvertibility prior to fragmentation in the gas phase
Author(s) -
Holmes John L.,
Lossing F. P.
Publication year - 1979
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210140911
Subject(s) - fragmentation (computing) , enol , chemistry , ion , decomposition , gas phase , standard enthalpy of formation , photochemistry , computational chemistry , medicinal chemistry , organic chemistry , catalysis , computer science , operating system
The heats of formation of the keto and enol forms of the molecular ion of methyl acetate are 577 ± 4kJ mol −1 and 477 ± 4KJ mol −1 respectively. Fragmentation by loss of CH 3 O˙ takes place at the thermochemical threshold for [CH 3 CO] + formation for both isomers, which may therefore freely interconvert at internal energies corresponding to this decomposition threshold.