Figure 3. Transition state structures for the rotational enantiomerization and automerization of (E)-3 (left column) and (Z)-3 calculated at the B3LYP/6-31G* level.
(E)-isomer (Z)-isomer
Planar
"Planar"
Perp. Ph(N)
symmetric
Perp. Ph(Im)
symmetric
Cleft
twisted
Cleft
symmetric
Cleft
symmetric