Bulky and Electron-Deficient α-Iminocarboxamidato-Nickel(II) Complexes: A Study of the Steric and Electronic Effects on Ethylene Activation

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dc.contributor.authorSkarjan, Leon
dc.contributor.authorVillegas-Escobar, Nery
dc.contributor.authorCorrea, Sebastian A.
dc.contributor.authorDaniliuc, Constantin G.
dc.contributor.authorMatute, Ricardo A.
dc.contributor.authorRojas, Rene S.
dc.date.accessioned2025-01-20T22:10:17Z
dc.date.available2025-01-20T22:10:17Z
dc.date.issued2021
dc.description.abstractTwo alpha-iminocarboxamidato-nickel(II) complexes containing ligands with several CF3 groups were synthesized and characterized by NMR spectroscopy, elemental analysis, and density functional theory (DFT) calculations. Surprisingly, the prepared complexes were inactive toward ethylene oligo/polymerization reactions upon activation attempts with common lewis acid co-catalysts such as B(C6F5)(3) and BF3. Quantum chemistry calculations were employed to reveal that adduct formation is thermodynamically favored for small Lewis acids such as BF3 due to the sterically demanding ligand environment of the complex, confirming the experimental findings. DFT results associate the lack of polymerization activity with a highly unfavorable steric environment, undesirable London dispersion interactions between the ligands, and a strong electrostatic stabilization caused by the employed ligands. Our findings should help future researchers to identify necessary electronic and steric requirements for the compounds to generate active Ni(II) catalysts for ethylene oligo/polymerization activated by suitable boron Lewis acids.
dc.fuente.origenWOS
dc.identifier.doi10.1002/ejic.202100474
dc.identifier.eissn1099-0682
dc.identifier.issn1434-1948
dc.identifier.urihttps://doi.org/10.1002/ejic.202100474
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/94366
dc.identifier.wosidWOS:000687714900001
dc.issue.numero40
dc.language.isoen
dc.pagina.final4174
dc.pagina.inicio4167
dc.revistaEuropean journal of inorganic chemistry
dc.rightsacceso restringido
dc.subjectFluorine effect
dc.subjectNickel
dc.subjectPolymerization
dc.subjectRemote activation
dc.subjectSteric blocking
dc.titleBulky and Electron-Deficient α-Iminocarboxamidato-Nickel(II) Complexes: A Study of the Steric and Electronic Effects on Ethylene Activation
dc.typeartículo
dc.volumen2021
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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