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Keywords:

  • ab initio calculations;
  • aromaticity;
  • boron;
  • carbon;
  • photoelectron spectroscopy
Thumbnail image of graphical abstract

Changing the wheel: Replacing one B unit by C in B82− is predicted to yield a CB7 molecular wheel, which has now been produced by laser vaporization. Ab initio calculations show that CB7 has an extremely stable planar C2v structure in which C replaces B at the rim of the B82− molecular wheel (see picture). The D7h structure with a heptacoordinate C atom lies 63 kcal mol−1 above the C2v structure.