Exploring the Role of Ligands in Gold(I)-Catalyzed Cyclizations: Insights from Density Functional Theory

This study uses density functional theory (DFT) to examine the gold(I)-catalyzed cascade cyclization of 1,4-dienyl-tethered 2-alkynylbenzaldehydes. It focuses on how different ligands influence regioselectivity and chemoselectivity. A consistent 6-endo-dig cyclization...