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Record W2126933643 · doi:10.1021/om1006006

Switchable Chromium(II) Complexes of a Chelating Amidophosphine (N−P) for Selective and Nonselective Ethylene Oligomerization

2010· article· en· W2126933643 on OpenAlexaff
Indira Thapa, Sandro Gambarotta, Ilia Korobkov, Robbert Duchateau, Shaneesh Vadake Kulangara, Reynald Chevalier

Bibliographic record

VenueOrganometallics · 2010
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Ottawa
Fundersnot available
KeywordsChemistryTolueneMedicinal chemistryChelationLigand (biochemistry)DivalentEthyleneReagentCrystallographyCrystal structureStereochemistryCatalysisInorganic chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Treatment of the lithium salt of t -BuN(H)PPh 2 in THF with CrCl 2 ·(THF) 2 afforded a dinuclear, [( t -BuNPPh 2 )Cr 2 (μ- t -BuNPPh 2 ) 3 ]·(toluene) 1.5 ( 1 ), and a tetrameric cluster, [( t -BuNPPh 2 )Cr(μ- t -BuNPPh 2 ) 2 Cr(μ-Cl)] 2 ·(toluene) 2 ( 5 ), depending on the reagents' stoichiometric ratio. Complex 1 is dimeric with a long intermetallic distance and the ligands adopting an asymmetric and distorted bridging-chelating bonding mode. Complex 5 is instead a symmetry-generated tetramer with two identical dimetallic units, each closely related in geometry to 1, linked by two bridging chlorine atoms. The reactions of 1 with alkyl aluminum activators afforded a series of divalent complexes, [{(μ-AlMe 3 )( t -BuNPPh 2 )} 2 Cr]·(toluene) ( 2 ), [{(μ-AlMe 2 Cl)( t -BuNPPh 2 )} 2 Cr]·(toluene) ( 3 ), and [{(μ-AlEt 2 Cl)( t -BuNPPh 2 )} 2 Cr]·(toluene) ( 4 ), containing organo-aluminum residues. Similarly, reaction of 5 with AlMe 3 gave [{(μ-AlMe 2 )( t -BuNPPh 2 ) 2 }Cr(μ-Cl)] 2 ·(toluene) 1.9 ( 6 ), also characterized by an X-ray crystal structure. Finally, the trivalent complex [( t -BuNPPh 2 ) 3 Cr] ( 7 ) was readily prepared via reaction of the lithiated ligand with CrCl 3 (THF) 3 . Upon treatment with AlMe 3 or Et 2 AlCl, complexes 2 and [{(μ-AlEtCl 2 )( t -BuNPPh 2 )} 2 Cr]·(toluene) ( 8 ) were isolated and fully characterized. In turn, this indicated that reduction to the divalent state is the primary stage of the activation process of the trivalent species. The catalytic behavior of all of these complexes has been assessed in the presence and absence of cocatalyst and with different solvents. The result showed a pronounced solvent effect, allowing switching from nonselective oligomerization to selective trimerization.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
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 score0.001
Threshold uncertainty score0.004

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.008
GPT teacher head0.223
Teacher spread0.215 · 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; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations61
Published2010
Admission routes1
Has abstractyes

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