10.1021/om049581h.s011
Kilian P. Tellmann
Kilian P.
Tellmann
Martin J. Humphries
Martin J.
Humphries
Henry S. Rzepa
Henry S.
Rzepa
Vernon C. Gibson
Vernon C.
Gibson
Experimental and Computational Study of β-H Transfer
between Cobalt(I) Alkyl Complexes and 1-Alkenes
American Chemical Society
2004
Computational Study
cobalt
reactivitie
species
reaction rates
Alkene
cobalt-hydride
steric effects
β- hydrogen transfer
polymerization
model reaction
complex
chain transfer process
theory support
Bis
β- H Transfer
Alkyl
experiment
Complexe
influence
Experimental
oligomerization catalysis
alkyl
Cobalt
1- alkenes
pathway
2004-11-08 00:00:00
Dataset
https://acs.figshare.com/articles/dataset/Experimental_and_Computational_Study_of_-H_Transfer_between_Cobalt_I_Alkyl_Complexes_and_1-Alkenes/4253048
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.