Nature of the interaction between β-substituents and the allyl moiety in (η~3-allyl)

摘要

β-Substituted (η~3-allyl) palladium complexes are key-inter- mediates in synthetically important highly selective palla- dium-catalyzed transformations. Recently, several studies have appeared on the investigation of the electronic interactions occurring between β-substituents and the allyl moiety in these complexes. The nature of these electronic interactions was explored by MP2 and DFT calculations, and it has been studied by X-Ray crystallography, kinetic experiments and stoichiometric nucleophilic substitution of the β-substituted (η~3-allyl) palladium complexes.