AM1 and PM3 SCF-MO calculations suggest the dimerisation of hemifullerene 1 to 2 by a mechanism involving six concurrent π2s+π4s additions corresponds to a stationary point with six negative force constants; the first stepwise π2s+π4s transition state is found to be highly unsymmetrical with a large barrier to reaction.
M. J. Plater, H. S. Rzepa and S. Stossel, J. Chem. Soc., Chem. Commun., 1994, 1567 DOI: 10.1039/C39940001567
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