60 with the plasma of methyl acrylate



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Eur. J. Mass Spectrom. 7, 461 - 465 (2001)

Gas-phase ionmolecule reactions of C60 with the plasma of methyl acrylate

Ziyang Liu, Tan Guo, Xinghua Guo and Shuying Liu*
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, P.R. China
Michael Przybylski*
Department of Chemistry, Analytical Chemistry, University of Konstanz, D-78457 Konstanz,
Li Ma
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, P. R. China and Department of Chemistry, Analytical Chemistry, University of Konstanz, D-78457 Konstanz,

ABSTRACT:
The gas-phase ionmolecule 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 HartreeFock level by use of the AM1 method. The results show three types of cycloadducts as the most stable structures among the possible isomers.

Keywords: gas-phase ion#150;molecule reactions, C60, methyl acrylate, AM1 method, self-ionization CI

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