Reductive eliminations from λ3-iodanes: understanding selectivity and the crucial role of the hypervalent bond.
This computational study investigates the factors governing the selectivity of the reductive eliminations from rapidly equilibrating isomeric λ(3)-iodanes derived from a diaryl iodonium salt and a nucleophile. The chemoselectivity is mainly determined by the partial charge at the ipso-carbon atom involved in the 3-center-4-electron bond.
Department of Chemistry and Applied Biosciences, ETH Zürich, Wolfgang-Pauli-Strasse 10, CH-8093 Zürich, Switzerland.
Halua
H
Pinto de Magalhães
Hans Peter
HP
Lüthi
Antonio
A
Togni