Abstract
The distonic radical cation HC + (OH)OĊH 2, an isomer of ionized methyl formate HC(O)OCH + 3, has been generated from fragmentation of ionized isobutyl formate and ionized 2-methylbutyl formate and characterized by collisional activation (CA) and neutralization—reionization (NR) mass spectrometries. A mixture of both methyl formate and distonic radical cations has been detected following ionization of methyl formate. MO calculations at the UHF/6-31G ** level showed that the distonic species is more stable its conventional isomer and that the energy difference between both isomers is essentially due to the difference of the OH and CH energies.
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