Key Points emerging from Hückel-Heilbronner
theory
- These conclusions are derived for a cycle bounded
entirely in 2D space, and for a band of zero width
and height!
- For a 4n electron system, a Möbius Cycle is
closed shell
- A closed shell 4n Möbius cycle has the same
π resonance energy as the equivalent (open shell)
untwisted Hückel cycle. It is not especially
stable!
- For a 4n+2 electron system, a Möbius Cycle is
open shell (triplet)
- A open shell 4n+2 Möbius cycle has less π
resonance energy than the equivalent (closed shell) untwisted Hückel
cycle.
- The HMO solution has no geometric model: No Möbius
surface assignable to eigenvectors.
© H. S. Rzepa, 2004.