Fig. 8: Explanation of regio- and enantioselectivity based on DFT calculation. | Nature Communications

Fig. 8: Explanation of regio- and enantioselectivity based on DFT calculation.

From: Chemo-, regio- and enantioselective hydroformylation of trisubstituted cyclopropenes: access to chiral quaternary cyclopropanes

Fig. 8

a A simplified representation of the enantiocontrolling (TSHAU(re)‡ and TSHAU(si)‡) and regio-controlling (TSHAS‡) transition states for the alkene insertion that respectively lead the formation of 2a (R and S enantiomers) and 3a in the AHF reaction of 1a. b Composite depictions rendered using a combination of space-filling and stick models derived from the enantiocontrolling transition states. Distances are in Å. All hydrogen atoms, except for the Rh-H, are omitted for improved clarity. A more detailed representation of these transition states, see Fig. 9.

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