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Record W2608423179 · doi:10.1021/acs.inorgchem.6b02959

Bis(<i>tert</i>-butylimido)bis(<i>N,O</i>-chelate)tungsten(VI) Complexes: Probing Amidate and Pyridonate Hemilability

2017· article· en· W2608423179 on OpenAlexafffund
Joseph M. Clarkson, Laurel L. Schafer

Bibliographic record

VenueInorganic Chemistry · 2017
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of British Columbia
FundersNatural Sciences and Engineering Research Council of CanadaUniversity of British ColumbiaCanada Research Chairs
KeywordsChemistryTungstenChelationMedicinal chemistryStereochemistryInorganic chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Four new bis(tert-butylimido)bis(N,O-chelate)tungsten(VI) complexes (3-6), in which the N,O-chelate is an amidate or pyridonate ligand, have been synthesized and characterized. Computational analysis has been used to calculate the relative energies of different stereoisomers and shown how the steric demand of each ligand influences coordination and bonding modes. The electronically saturated complexes have been employed to evaluate 1,3-N,O-chelated metal-ligand interactions. Complexes 3-6 were treated with electrophilic reagents, which resulted in strikingly different reactivity patterns between the amidate and the pyridonate ligated complexes. The observed reactivity differences are accompanied by direct observation of different trends in the hemilability of these two different classes of 1,3-N,O-chelates.

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 score0.068
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0010.001
Scholarly communication0.0010.000
Open science0.0020.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0170.000

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 head0.015
GPT teacher head0.227
Teacher spread0.212 · 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

Citations16
Published2017
Admission routes2
Has abstractyes

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