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. Author manuscript; available in PMC: 2019 Nov 21.
Published in final edited form as: J Am Chem Soc. 2018 Nov 8;140(46):15616–15620. doi: 10.1021/jacs.8b10206

Figure 1.

Figure 1.

(a) Previous work demonstrating transition metal-mediated C–H insertion of a benzyne carbon. (b) Calculated {DFT [SMD(toluene)//M06–2X/6–311+G**]} energy profile for the BF3-catalyzed insertion of o-benzyne (1) into H–CH3 to give toluene (4). Ts = p-toluenesulfonyl; OTf = O3SCF3.; DFT, density functional theory; PES, potential energy surface.