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. Author manuscript; available in PMC: 2016 Feb 20.
Published in final edited form as: Org Lett. 2015 Feb 11;17(4):856–859. doi: 10.1021/ol5037024

Figure 2.

Figure 2

(a) DFT calculation [M06-2X/6-31G(d) with SMD (chloroform)] of the relative TS energies for the competitive IMDA reactions proceeding via TS15 to 11-maj vs. 11-min. (b) DFT geometries and relative energies for the TSs accounting for the preferential formation of 11f-maj as well as the observed anti relative configuration in 11f-min from 10f.