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Record W4210435763 · doi:10.1002/anie.202115692

Haptotropism in a Nickel Complex with a Neutral, π‐Bridging <i>cyclo</i>‐P<sub>4</sub> Ligand Analogous to Cyclobutadiene

2022· article· en· W4210435763 on OpenAlexafffund
Chris Gendy, Juuso Valjus, Heikki M. Tuononen, Roland Roesler

Bibliographic record

VenueAngewandte Chemie International Edition · 2022
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Calgary
FundersH2020 European Research CouncilNatural Sciences and Engineering Research Council of CanadaAcademy of Finland
KeywordsCyclobutadieneNorbornaneChemistryCrystallographyHexacoordinateNickelCarbeneLigand (biochemistry)StereochemistryPentaneDegree of unsaturationMoleculePolymer chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Dedicated to Professor Manfred Scheer on the occasion of his 65th birthday The reaction of ( 1 )Ni(η 2 ‐cod), 2 , incorporating a chelating bis( N ‐heterocyclic carbene) 1 , with P 4 in pentane yielded the dinuclear complex [( 2 )Ni] 2 (μ 2 ,η 2 : η 2 ‐P 4 ), 3 , formally featuring a cyclobutadiene‐like, neutral, rectangular, π‐bridging P 4 ‐ring. In toluene, the butterfly‐shaped complex [( 1 )Ni] 2 (μ 2 ,η 2 : η 2 ‐P 2 ), 4 , with a formally neutral P 2 ‐unit was obtained from 2 and either P 4 or 3 . Computational studies showed that a haptotropic rearrangement involving two isomers of the μ 2 ,η 2 : η 2 ‐P 4 coordination mode and a low‐energy μ 2 ,η 4 : η 4 ‐P 4 coordination mode, as previously predicted for related nickel cyclobutadiene complexes, could explain the coalescence observed in the low‐temperature NMR spectra of 3 . The insertion of the ( 1 )Ni fragment into a P−P bond of P 7 (SiMe 3 ) 3 , forming complex 5 with a norbornane‐like P 7 ligand, was also observed.

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 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 score0.017
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
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0040.000

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 head0.221
Teacher spread0.208 · 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
Published2022
Admission routes2
Has abstractyes

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