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. Author manuscript; available in PMC: 2013 Jun 1.
Published in final edited form as: J Org Chem. 2012 Jul 31;78(5):1753–1759. doi: 10.1021/jo3011792

Figure 2.

Figure 2

Transition structures for ZnCl2-catalyzed cycloadditions of oxyallyl 3b with furan 4, optimized with B3LYP. Below each structure are given the activation energies obtained from M06-2X single-point calculations. Distances in Å, ΔH and ΔG in kcal/mol.