Figure 5. Transition state structures for enantiomerization and automerization of (Z,Z)-3 (left) and (Z,Z)-4 calculated at the B3LYP/6-31G* level.
3, R = H 4, R = Me
Perp(N)
cis
Perp(N)
trans
Perp(Im)
syn
Perp(Im)
anti
Cleft
cis
Cleft
trans