Structure of trans-Butadiene

The structure of trans-butadiene. The trans refers to the conformation about the central C-C single bond. And now you are getting the point that is critical for the pericyclic reactions: In pericyclic reactions it is customary to write the butadiene in a way that suggests that the two double bonds are on the same side of the central C-C single bond. Yet, the best structure of butadiene is the trans-structure.


Figure. The RHF/6-31G* optimized structure of trans-butadiene.