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. Author manuscript; available in PMC: 2017 Jul 1.
Published in final edited form as: Org Lett. 2016 Jun 13;18(13):3214–3217. doi: 10.1021/acs.orglett.6b01435

Figure 1.

Figure 1

A. Simplified catalyst 5 was utilized as a proxy for 1 in computational investigation. B. A comparison of the relative energies of the lowest energy transition structures involving each of the four possible homodimeric and heterodimeric complexes of catalyst 5. See ref 5. Lowest energy computed transition structures involving the homodimeric (Z)-5/(Z)-5 catalyst complex en route to the C. major and D. minor enantiomers of isochroman product 4a. All calculations performed with B3LYP/6-31G+(d,p)//B3LYP/6-31G(d). Atom coloring scheme: C = silver, H = white, O = red, N = blue, S = yellow, Cl = magenta, Si = gold. Carbon-bound H atoms omitted for clarity.