Fig. 7: DFT calculations for carbon-silicon-switch effect in reactivity. | Nature Communications

Fig. 7: DFT calculations for carbon-silicon-switch effect in reactivity.

From: Carbon-silicon-switch effect in enantioselective construction of silicon-stereogenic center from silacyclohexadienones

Fig. 7

a Energy profiles for the C–C bond formation of 1a catalyzed by Rh/(R)-DTBM-segphos catalyst. b Energy profiles for the hydrolysis of Rh/(R)-DTBM-segphos catalyst. c Energy profiles for the C–C bond formation of 7 catalyzed by Rh/(R)-DTBM-segphos catalyst. d Comparison of optimized geometries IM1-RSiSC and IM1-SR.

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