Evidence map›Paper›PMID 36320461›Full record

ArticleChemical science2022

Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs.

David Trummer, Anna Giorgia Nobile, Pierre-Adrien Payard, Anton Ashuiev, Yuya Kakiuchi, Daniel Klose, Gunnar Jeschke, Christophe Copéret

Abstract read
In one paragraph

Article in Chemical science, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. AssigningChemical science · 2023
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

8 authors.

David TrummerETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 Zürich CH-8093 Switzerland ccoperet@ethz.ch gunnar.jeschke@phys.chem.ethz.ch.
Anna Giorgia NobileETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 Zürich CH-8093 Switzerland ccoperet@ethz.ch gunnar.jeschke@phys.chem.ethz.ch.
Pierre-Adrien PayardETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 Zürich CH-8093 Switzerland ccoperet@ethz.ch gunnar.jeschke@phys.chem.ethz.ch.ORCID https://orcid.org/0000-0001-5661-6128
Anton AshuievETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 Zürich CH-8093 Switzerland ccoperet@ethz.ch gunnar.jeschke@phys.chem.ethz.ch.
Yuya KakiuchiETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 Zürich CH-8093 Switzerland ccoperet@ethz.ch gunnar.jeschke@phys.chem.ethz.ch.
Daniel KloseETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 Zürich CH-8093 Switzerland ccoperet@ethz.ch gunnar.jeschke@phys.chem.ethz.ch.ORCID https://orcid.org/0000-0002-3597-0889
Gunnar JeschkeETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 Zürich CH-8093 Switzerland ccoperet@ethz.ch gunnar.jeschke@phys.chem.ethz.ch.
Christophe CopéretETH Zürich Department of Chemistry and Applied Biosciences Vladimir-Prelog-Weg 2 Zürich CH-8093 Switzerland ccoperet@ethz.ch gunnar.jeschke@phys.chem.ethz.ch.ORCID https://orcid.org/0000-0001-9660-3890

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The Union Carbide (UC) ethylene polymerization catalysts, based on chromocene dispersed on silica, show distinct features from the Phillips catalysts, but share the same heated debate regarding the structure of their active sites. Based on a combination of IR, EPR spectroscopies, labeling experiments, and DFT modeling, we identified monomeric surface-supported Cr(iii) hydrides, ([triple bond, length as m-dash]SiO)Cr(Cp)-H, as the active sites of the UC catalyst. These sites are formed in the presence of grafted and adsorbed chromocene as well as residual surface OH groups, only possible at high Cr loading, and involve a C-H activation of the Cp ring. These Cr-hydrides initiate polymerization, yielding Cr(iii) alkyl species that insert ethylene through a Cossee-Arlman-type mechanism, as evidenced by spectroscopic studies. These insights inspired the design of a well-defined analog, CpCr(CH(SiMe

Identifiers

PMID36320461
PMCPMC9517275

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.