Agostic Interactions in Nickel(II) Complexes: Trans Influence of Ancillary Ligands on the Strength of the Bond
作者： Bimal Pudasaini , Benjamin G. Janesko
DOI: 10.1021/OM400731J
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摘要: The selectivity of transition-metal-catalyzed alkyl cross-coupling is significantly affected by agostic interactions. We report a systematic computational study how ligand trans influence affects the strength β-agostic interactions in Ni(II)–ethyl complexes selected to model intermediates. roles π back-donation and in-plane coupling are highlighted. Calculations with carbene ligands illustrate relevance these ideas for design.
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