Andrea Frank, Andreas Berkefeld, Matthias Drexler, Heiko M. Möller and Thomas E. Exner Small changes—Huge influences: NMR chemical shifts of Ni(II) complexes with polar substrates International Journal of Quantum Chemistry 113
Neutral Ni(II) complexes have been shown to be highly valuable as robust and versatile catalysts in olefin polymerization. However, they show reduced reactivity when the polar monomers methyl acrylate and vinyl acetate are incorporated. NMR chemical shift calculations are performed on model systems to gain further insight into this behavior. The chemical shifts strongly depend on the geometrical features of the complex as well as the inserted substrate and the directionality of polarization.
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