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Record W2826071532 · doi:10.1002/chem.201803451

Dismantling of Vinyl Ethers by Pentanuclear [(<i>i</i>Pr<sub>3</sub>P)Ni]<sub>5</sub>H<sub>6</sub>: Facile Cooperative C−O, C−C and C−H Activation Pathways

2018· article· en· W2826071532 on OpenAlexafffund
Manar M. Shoshani, Volodymyr Semeniuchenko, Samuel A. Johnson

Bibliographic record

VenueChemistry - A European Journal · 2018
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Windsor
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryBond cleavageStereochemistryMedicinal chemistrySubstrate (aquarium)Cleavage (geology)CrystallographyCatalysisMaterials scienceOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract The [( i Pr 3 P)Ni] 5 H 6 cluster ( 1 ) and H 2 C=CHO t Bu react at room temperature to form the new pentanuclear NiH carbide [( i Pr 3 P)Ni] 5 H 4 (C)(CO) ( 3 ), along with an equivalent of isobutylene. This transformation requires the activation of multiple unreactive bonds, including C−H, C−C, and C(sp 3 )−O bond cleavage. Analysis of the reaction mixture by 1 H NMR revealed the production of two additional paramagnetic species, assigned as [( i Pr 3 P)Ni] 4 H 4 (C‐CH 3 )NiO t Bu ( 4 a ) and [( i Pr 3 P)Ni] 4 H 4 (C‐CH 2 O t Bu)NiO t Bu ( 5 a ), which arise from C(sp 2 )−O bond cleavage and CH bond rearrangements. The reaction of 1 with H 2 C=CHOSiMe 2 CH 2 Ph produced the isolable 4 a analogue [( i Pr 3 P) 4 Ni 5 ]H 4 (CCH 3 )(OSiMe 2 CH 2 Ph) ( 4 c ). An isolable analogue of 5 a was obtained from the reaction of 1 with H 2 C=CHOAd (Ad=1‐admantyl), which produced [( i Pr 3 P) 4 Ni 5 ]H 4 (CCH 2 OAd)(OAd) ( 5 d ). The utilization of both cluster faces and vertices for bonding substrate fragments in these transformations demonstrates the remarkable flexibility of the robust Ni 5 H 4 core in the cooperative activation of multiple C−O, C−C and C−H bonds.

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)0.001
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 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 score0.039
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0010.001
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
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 head0.013
GPT teacher head0.195
Teacher spread0.181 · 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 teacher head, not a consensus.

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

Citations15
Published2018
Admission routes2
Has abstractyes

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