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Record W2013641946 · doi:10.1021/om901045s

(Py)<sub>2</sub>Co(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>2</sub> As an Easily Accessible Source of “CoR<sub>2</sub>”

2010· article· en· W2013641946 on OpenAlexaff
Di Zhu, F.F.B.J. Janssen, Peter H. M. Budzelaar

Bibliographic record

VenueOrganometallics · 2010
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Manitoba
Fundersnot available
KeywordsChemistrySteric effectsLigand (biochemistry)CrystallographyAlkylDiamagnetismStereochemistryCrystal structureAcceptorOrganic chemistry

Abstract

fetched live from OpenAlex

(Py) 2 CoR 2 (R = CH 2 SiMe 3 ) is easily prepared from (Py) 4 CoCl 2 and RLi. It is fairly stable at room temperature and serves as a convenient source of CoR 2 for transfer to other ligands. Unfortunately, (Py) 2 CoR 2 was obtained only as an oil, but the structure of the related complex (Py) 2 CoR′ 2 (R′ = CH 2 CMe 2 Ph) could be confirmed by a single-crystal X-ray diffraction study. Transfer of the CoR 2 fragment from (Py) 2 CoR 2 or (TMEDA)CoR 2 to diiminepyridine-type ligands ( 1 − 6 ) was studied as a function of ligand steric and electronic properties. Reaction with N -2,6-dimethylphenyl ( 1 ) and N -2,4,6-trimethylphenyl ( 2 ) ligands produced diamagnetic mono alkyl complexes; the structure of ( 1 )CoR was confirmed by X-ray diffraction. With the less shielding N -phenyl ( 3 ) and N -benzyl ( 4 ) ligands, 1 H NMR indicated formation of diamagnetic Co I alkyl species, but they were not stable enough to allow isolation. Fluorinated ligand 5 appears to be less reactive and−despite its supposedly stronger π-acceptor character−also does not lead to formation of a stable Co I alkyl complex. With PyBOX ligand 6, high-spin di alkyl complex ( 6 )CoR 2 was observed by 1 H NMR. Based on these observations and DFT calculations, a mechanism is proposed for formation of diiminepyridine Co I alkyls that involves formation of a high-spin κ 2 complex, spin flip to give a low-spin κ 3 complex, and irreversible loss of an alkyl radical.

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)0.003
metaresearch head score (Gemma)0.002
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Research integrity, Insufficient payload (model declined to judge)
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 score0.105
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0030.002
Meta-epidemiology (narrow)0.0050.005
Meta-epidemiology (broad)0.0060.003
Bibliometrics0.0030.007
Science and technology studies0.0020.002
Scholarly communication0.0020.003
Open science0.0070.003
Research integrity0.0030.005
Insufficient payload (model declined to judge)0.0030.004

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 head0.012
GPT teacher head0.235
Teacher spread0.223 · 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; both teacher heads agree on what is shown here.

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

Citations45
Published2010
Admission routes1
Has abstractyes

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