Detailed understanding of catalytic transformations is key to designing better catalysts. This talk will give insights on case studies and reactivity designs recently undertaken in our laboratory. A combination of experimental and computational tools were applied to study and/or predict the favored reaction mechanisms, active catalytic species, ligand and additive effects of selected transformations mediated by palladium species of the oxidation states 0, I, II and III.1 A particular emphasis will be made on the oxidation state I. As a result of these investigations, novel reactivities have been uncovered.<br/><br/>(1) For a recent review, see: Bonney, K. J.; Schoenebeck, F. Chem. Soc. Rev. 2014, 43, 6609.

Understanding and design of organopalladium reactivity with experimental and computational tools

249th National Meeting (2015)

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