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. 2022 Nov 3;27(21):7517. doi: 10.3390/molecules27217517

Figure 5.

Figure 5

Reaction profile of the Cu-to-B transmetalation in the heterobimetallic cationic intermediate [(S)2Cu(μ-OH)2B(Ph)(OH)]+ (3+,n = 2) (S = MeOH) computed at the DFT level. ∆G (∆H) are given in kcal mol−1. See Figures S14–S16 for alternative pathways.