Lowest energy π-like
Molecular Orbitals for
C9H9+ |
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- The most stable π-MO a + b pair
each has an approximate node (phase shift) at one of the two points
where the C2 axis crosses the cycle, a
pattern which is usefully diagnostic.
- The lower energy (b) partner has this node lying
perpendicular to the axis (lhs) avoiding the
compressed region.
- The higher energy (a) partner has this node lying
along the C2 axis (rhs), encountering
the compressed region.
- These nodes mean neither MO represents a true Möbius
surface.
- But notice the C-H contamination in the a
orbital which removes the pure node in one phase!
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