MétaCan
Menu
Back to cohort
Record W3034656818 · doi:10.1021/acs.organomet.0c00223

Synthesis, Characterization, and Reactivity of Neutral Octahedral Alkyl-Cobalt(III) Complexes Bearing a Dianionic Pentadentate Ligand

2020· article· en· W3034656818 on OpenAlexafffund
Lucie Nurdin, Warren E. Piers, Jian‐Bin Lin, Benjamin S. Gelfand

Bibliographic record

VenueOrganometallics · 2020
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsAlberta Innovates - Technology Futures
KeywordsChemistryProtonationHomolysisLigand (biochemistry)AlkylReactivity (psychology)HeterolysisMedicinal chemistryOctahedral molecular geometryOctahedronCobaltStereochemistryPhotochemistryCrystallographyCrystal structureInorganic chemistryOrganic chemistryRadicalIonCatalysis

Abstract

fetched live from OpenAlex

A variety of neutral alkyl-cobalt(III) complexes bearing a dianionic tetrapodal pentadentate ligand B 2 Pz 4 Py are reported. Compounds 2-R (R═CH 3, CH 2 SiMe 3, CH 2 SiMe 2 Ph, i Bu, CH 2 ( c -C 5 H 9 ), and (CH 2 ) 4 CH═CH 2 ) are synthesized in 58–90% yield. These diamagnetic, octahedral complexes are thermally stable up to 110°C and are also remarkably stable to ambient atmosphere. They were fully characterized by spectroscopic technique and, in three cases, by X-ray crystallography. Evidence for reversible homolytic cleavage of the Co–C bonds was found in their reactions with the hydrogen atom donor 1,4-cyclohexadiene and the radical-trap TEMPO, as well as the observed cyclization of the 5-hexenyl group to the methylcyclopentyl derivative over the course of several hours. Despite these observations, it can be concluded that the diborate B 2 Pz 4 Py ligand provides a very stable platform for these Co(III) alkyls. Reduction by one electron to a Co(II) alkyl can accelerate bond homolysis, but in this instance, using cobaltocene as the reducing agent leads to ejection of an alkide anion through bond heterolysis, an unusual reaction for Co(III) alkyls. Finally, protonation of compound 2-Me with the strong acid HNTf 2 leads to divergent reactivity in which the major protonation site is the pyridyl nitrogen of the ligand as opposed to protonation of the methyl group. The product of protonation at nitrogen is the dimeric species 4 which was prepared via separate synthesis and characterized 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 score0.001
Threshold uncertainty score0.003

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 head0.020
GPT teacher head0.219
Teacher spread0.199 · 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

Citations10
Published2020
Admission routes2
Has abstractyes

Explore more

Same venueOrganometallicsSame topicOrganometallic Complex Synthesis and CatalysisFrench-language works237,207