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Record W2110500746 · doi:10.1021/om2002359

Highly Active Ethylene Oligomerization Catalysts

2011· article· en· W2110500746 on OpenAlexaff
Khalid Albahily, Sebastiano Licciulli, Sandro Gambarotta, Ilia Korobkov, Reynald Chevalier, Kathrine Schuhen, Robbert Duchateau

Bibliographic record

VenueOrganometallics · 2011
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Ottawa
Fundersnot available
KeywordsChemistryDivalentCationic polymerizationCatalysisEthyleneDeprotonationLigand (biochemistry)Medicinal chemistryChromiumMetallacycleTolueneRedoxStereochemistryInorganic chemistryPolymer chemistryOrganic chemistryX-ray crystallographyIon

Abstract

fetched live from OpenAlex

Reaction of RN(H)PBr(Ph) 2 N(H)R [R = t -Bu, i -Pr, Ph] with two equivalents of n -BuLi followed by reaction with CrCl 2 (THF) 2 afforded the divalent chromium complexes [( t -Bu)NP(Ph) 2 N( t -Bu)]Cr(μ 2 -Cl) 2 Li(THF) 2 ( 1 ), [( i -Pr)NP(Ph) 2 N( i -Pr)]Cr(μ 2 -Cl) 2 Li(THF) 2 ( 2 ), and [{[(Ph)NP(Ph) 2 N(Ph)]Cr} 2 (μ 2 -Cl) 3 ][Li(DME) 3 ] ( 3 ). The trivalent analogue of 1, {[( t -Bu)NP(Ph) 2 N( t -Bu)]Cr(μ 2 -Cl) 3 (μ 3 -Cl) 2 }{Li (THF) 2 } ( 4 ), was obtained in a similar manner via treatment of the double deprotonated ligand with CrCl 3 (THF) 3 . Both reactions of the divalent 1 or trivalent 4 with AlMe 3 yielded the trivalent and cationic complex {[( t -Bu)NP(Ph) 2 N( t -Bu)] 2 Cr}{(Me 3 Al) 2 Cl}·toluene ( 5 ). Upon activation with MAO, 1 – 3 produced unprecedented and potentially useful catalytic systems for nonselective ethylene oligomerization devoid of polymer. Divalent chromium is clearly the species responsible for the catalytic behavior, ruling out that nonselective oligomerization proceeds via a redox metallacycle mechanism. The absence of polymer in combination with the record activity makes 1 competitive with the best performing industrially used systems.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesInsufficient payload (model declined to judge)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.235
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0750.001

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.027
GPT teacher head0.213
Teacher spread0.186 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; both teacher heads agree on what is shown here.

Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations37
Published2011
Admission routes1
Has abstractyes

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