Insights into the Mechanism and Origin of Solvent-Controlled Chemodivergence in the Synthesis of Au-Catalyzed Bicyclo[2.2.1]heptanes from 3-Alkoxy-1,6-Diynes: A DFT Perspective
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DOI: 10.1039/d4qo00816b
Abstract: Density functional theory (DFT) calculations reveal a distinct mechanism for the Au(I)-catalyzed synthesis of bicyclo-[2.2.1]heptanes through cycloisomerizations of 3-alkoxyl-1,6-diynes. The proposed mechanism highlights the crucial involvement of an allyl-gold species... read more here.
Keywords: origin solvent; insights mechanism; synthesis; mechanism origin ... See more keywords