Abstract
The gas-phase ion–molecule reactions of C60 with the plasma generated from methyl acrylate under self-chemical ionization conditions were studied by use of a triple-quadrupole mass spectrometer. The adduct cation [C60C3H3O]+ and protonated molecular ion [C60H]+ were observed as the major product ions. The former adduct ion is formed by electrophilic reaction of C60 with the ion [CH2=CHCO]+, a main fragment ion resulting from the methyl acrylate molecular ion [CH2=CHCOOCH3]+ through alpha cleavage. The latter ion is generated by proton transfer from protonated methyl acrylate to C60. Semi-empirical quantum chemical calculations have been performed for the eight possible isomers of [C60C3H3O]+ at the Hartree–Fock level by use of the AM1 method. The results show three types of cycloadducts as the most stable structures among the possible isomers.
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