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. Author manuscript; available in PMC: 2018 Sep 11.
Published in final edited form as: Angew Chem Int Ed Engl. 2017 Aug 9;56(38):11485–11489. doi: 10.1002/anie.201705720

Figure 3.

Figure 3

DFT Analysis of the boron alkylidene/alkene cycloadddition reaction. Reaction to give the syn stereoisomer of product proceeds through an intermediate carbanion. Values are relative ΔG in kcal/mol at 298 K; calculations performed by density functional theory (DFT; M06-2×/6–31+G* with PCM solvent model (THF).