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Record W2069314245 · doi:10.1021/om030690q

General Synthesis of Cyclopentadienylchromium(II)<i>η</i><sup>3</sup>-Allyl Dicarbonyl Complexes

2004· article· en· W2069314245 on OpenAlexafffund
David W. Norman, Michael J. Ferguson, Jeffrey M. Stryker

Bibliographic record

VenueOrganometallics · 2004
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryLigand (biochemistry)Medicinal chemistryAcetonitrileSteric effectsOxidative additionBromideAllyl bromideCyclopentadienyl complexReductive eliminationDerivative (finance)StereochemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Thermally stable chromium(II) dicarbonyl complexes bearing substituted η 3 -allyl and η 5 -cyclopentadienyl ligands have been prepared via oxidative addition of the allyl bromide to tris(acetonitrile)tricarbonylchromium at −30 °C in acetonitrile, followed by in situ addition of the ancillary cyclopentadienyl ligand anion at low temperature. Spectroscopic data for allyl complexes 1, 2, and 4 − 7 indicate that the solution configuration of the allyl ligand is preferentially exo, while the data for the 2-methylallyl derivative 3 suggest the formation of a 65:35 mixture of endo and exo isomers. The cyclohexenyl and indenyl complexes 5 and 7, respectively, exhibit interesting spectroscopic and structural characteristics. While most complexes were prepared in good yield, the addition of sterically larger ancillary ligands was problematic: the addition of indenyllithium led to low yields of the allylchromium complex, while treatment with (pentamethylcyclopentadienyl)lithium led to the isolation of only organic products. These diminished returns are attributed to attack of the ancillary ligand anion directly on the coordinated allyl ligand of the intermediate formed by oxidative addition. Solid-state structures of the η 3 -allyl, crotyl, and cyclohexenyl complexes, all in the exo configuration, have been determined by X-ray crystallography.

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 score0.006
Threshold uncertainty score0.020

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0060.002

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 head0.011
GPT teacher head0.214
Teacher spread0.203 · 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

Citations12
Published2004
Admission routes2
Has abstractyes

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