The Claisen rearrangement of 1-methyl-2-isopropyoxycarbonyl-6-propyl allyl vinyl ether catalyzed by copper(II) bisoxazoline (Cu-box) has been investigated using density functional theory. Both the ...

The allyl radical is much less resonant and is correctly described by the traditional two-structure picture. The development of VBB Lewis structures into “pure” valence bond determinants enlightens ...