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 π2 s+π4s transition state is found to be highly unsymmetrical with a large barrier to reaction.
|Number of pages||2|
|Journal||Journal of the Chemical Society, Chemical Communications|
|Publication status||Published - 1 Dec 1994|
ASJC Scopus subject areas
- Molecular Medicine