Figure 4 | Scientific Reports

Figure 4

From: Friedel-Crafts Reaction of N,N-Dimethylaniline with Alkenes Catalyzed by Cyclic Diaminocarbene-Gold(I) Complex

Figure 4

(a) The pathway 1 to produce 5a by the Friedel-Crafts reaction between 2 and 3 without the assistance of aromatic amine (Energy in kcal/mol). Energies out of parenthesis were obtained at M06-2X (6–311 + G*/LANL2DZ). Energies in parenthesis were obtained at M06–2X (6–311 + G*/LANL2DZ) by PCM calculation. (b) The structures of the optimized transition states (Bond length in Å). All hydrogen atoms (except the transferred H) have been omitted for clarity.

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