COMMUNICATION pubs.acs.org/JACS AnUnusual HydrogenMigration/C-HActivation Reactionwith Group

ABSTRACT: A novel hydrogen migration from the phenyl ring to the pyridine ring of an yttrium pyridyl complex supported by a 1,10-ferrocene diamide ligand is reported. Density functional theory calculations were instrumental in probing the mechanism for this transformation. The importance of hydrogen-transfer reactions in catalyticcycles involving transition metals is well recognized.1-4 Recent experimental and theoretical studies have shown that the activation of X-H (X =H, C, Si, O, etc.) bonds by transition-metal complexes employs one of the following processes: R- or β-hydrogen transfer, hydrogen exchange, oxidative addition, reductive elimination, metathesis, or nucleophilic addition.1-10 The discovery of a new elementary reaction for hydrogen migrations would enhance our understanding of established processes and lead to novel transformations. While studying the reactivity behavior of group 3metal alkyl11-1