Conformational structure impacts electronic
properties
2. Conjugation yields an energy/unit length which is
minimized with increasing backbone planarity
Si
Si
Si
Si
Si
Si
Si
Si
geminal
s
bonding
vicinal
3. Rotation breaks conjugation
C
C
C
C
C
C
C
C
C
C
C
C
p
bonding
(as synthesized)
(after thermal conversion)
1. Cis and trans
polyacetylene, according to the tight binding picture
just presented, should have the same band
gap but they don’t!
Question: Why not?
Structural instabilities and disorder are extremely
important (at all length scales)