Experimental and Computational Study of β-H Transfer between Cobalt(I) Alkyl Complexes and 1-Alkenes

Bis(imino)pyridine cobalt(I) alkyl complexes react with 1-alkenes by β-hydrogen transfer,
providing a model reaction for the study of a commonly encountered chain transfer process
in polymerization and oligomerization catalysis. The influence of steric effects on reaction
rates is described. The theoretical models largely agree with the experimentally determined
structures, provide a more detailed view of the species involved, and are consistent with the
observed reactivities. Both experiment and theory support a stepwise pathway involving a
cobalt-hydride intermediate.

双(亚氨基)吡啶钴(I)烷基络合物通过与1-烯烃发生β-氢转移反应，为聚合物化和齐聚化催化中常见的链转移过程的机理研究提供了一个模型反应。本文详细阐述了立体效应对反应速率的影响。理论模型与实验确定的分子结构高度吻合，对反应涉及的物种提供了更为深入的视角，并与其观测到的活性保持一致。实验与理论均支持涉及钴氢中间体的逐步反应路径。