Reductive Eliminations from λ<sup>3</sup>-Iodanes: Understanding Selectivity and the Crucial Role of the Hypervalent Bond Halua Pinto de Magalhães Hans Peter Lüthi Antonio Togni 10.1021/ol3014039.s001 https://acs.figshare.com/articles/journal_contribution/Reductive_Eliminations_from_sup_3_sup_Iodanes_Understanding_Selectivity_and_the_Crucial_Role_of_the_Hypervalent_Bond/2499598 This computational study investigates the factors governing the selectivity of the reductive eliminations from rapidly equilibrating isomeric λ<sup>3</sup>-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. 2012-08-03 00:00:00 Crucial Role Reductive Eliminations selectivity chemoselectivity isomeric iodane Hypervalent BondThis charge factor diaryl iodonium salt nucleophile center equilibrating Selectivity reductive eliminations Iodane bond