A MINDO/3 theoretical study has been performed on the potential surface of the C4H4O+˙ radical cation. Fragmentations yielding C3H4+˙(CO loss), C3H3+(CHO loss), and C2H2O+˙(C2H2 loss) ions have been studied. A wide number of pseudostable species have been found. Very complex rearrangements occur previous to the fragmentations. Kinetic aspects are discussed.
R. Caballol, J. M. Poblet and J. P. Sarasa, J. Chem. Soc., Perkin Trans. 2, 1986, 949 DOI: 10.1039/P29860000949
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