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. Author manuscript; available in PMC: 2018 Sep 6.
Published in final edited form as: J Am Chem Soc. 2017 Aug 22;139(35):12299–12309. doi: 10.1021/jacs.7b06811

Figure 7.

Figure 7

Enantiodetermining Rearomatization Occurs within a Conserved Network of Cooperative Hydrogen-Bonding Interactions. Calculations performed with B3LYP-D3(BJ)/6-31+G(d,p)/CPCM(toluene)//B3LYP/6-31G(d)/CPCM(toluene). Electronic energies reported in kcal/mol. Corrected free energies listed in parentheses in kcal/mol. Select bond lengths listed in Å. Dotted lines represent H-bonding or C–H···π interactions; dashed lines represent breaking and forming bonds. H = white, C = silver, N = blue, O = red, S = yellow, Cl = magenta.