Bowl-Shaped Corannulene Molecule is Surprisingly Flexible

Chemical & Engineering News, March 16, 1992, page 27

Contribution from
  • The University of California, San Diego, and
  • San Diego Supercomputer Center
  • Synopsis

    At the University of California, San Diego, Jay S. Siegel and coworkers developed a synthetic routeto the corannulene nucleus, which allos them to produc dihydrocorannulene and tetrahydrocorannulene as well as the parent hydrocarbon. Variable-temperature NMR studies reveal that all three molecules possess very low barriers to inversion. Additionally, Kim Baldridge, at the San Diego Supercomputer Center, has carried out theoretical calculations of the structures of corannulene, dihydrocorannulene, and tetrahydrocorannulene, the results of which corroborate the experimental findings. The data on the dynamics of the corannuleen moelcule appear in The Jouranl of the American Chemical Society, 114 , 1992 , p. 1921.