2013
DOI: 10.1002/qua.24401
|View full text |Cite
|
Sign up to set email alerts
|

Small changes—Huge influences: NMR chemical shifts of Ni(II) complexes with polar substrates

Abstract: Neutral Ni(II) complexes have been shown to be highly valuable as robust and versatile catalysts in olefin polymerization. But they show reduced reactivity when the polar monomers methyl acrylate and vinyl acetate are incorporated. To get further insight into this behavior, NMR chemical shift calculations were performed on the system [(N,O) Ni (H) (PMe3)] 1 (N,O = $\kappa ^2$‐N,O‐{2,6‐(3,5‐(F3C)2C6H3)2C6H3)NC(H)‐3,5‐I2‐2‐O‐C6H2}). The chemical shifts show reasonable agreement with experiment but are also ext… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2

Citation Types

1
1
0

Year Published

2014
2014
2022
2022

Publication Types

Select...
2

Relationship

0
2

Authors

Journals

citations
Cited by 2 publications
(2 citation statements)
references
References 43 publications
(57 reference statements)
1
1
0
Order By: Relevance
“…2022, 34, 2108835 effect of Ni atoms and the electron cloudy distribution in space. [38,39] Moreover, the broad unresolved 13 C NMR spectrum, as displayed in Figure 2h, also confirms the hard structure of the material. The central resonances in the range 120-160 ppm arise from the aromatic carbons and CC in the hybrid rings.…”
Section: Resultssupporting
confidence: 56%
“…2022, 34, 2108835 effect of Ni atoms and the electron cloudy distribution in space. [38,39] Moreover, the broad unresolved 13 C NMR spectrum, as displayed in Figure 2h, also confirms the hard structure of the material. The central resonances in the range 120-160 ppm arise from the aromatic carbons and CC in the hybrid rings.…”
Section: Resultssupporting
confidence: 56%
“…Downfield shifts for amino-terminal H α protons upon metal complexation have been observed before, 14,15 but the other protons of the N-terminal residue are not typically altered. While the effect of heavy atoms on chemical shift remains difficult to predict, 17 deshielding of these protons is consistent with being conformationally restricted and being held in the vicinity of the Ni(II) ion. These results provide evidence that the lysine sidechain is in proximity to the Ni(II) in the bound structure.…”
Section: Resultsmentioning
confidence: 71%