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Record W4388847269 · doi:10.1002/chem.202302714

Electron‐Triggered Imine Coupling: Synthesis and Characterization of Three Redox States (0,–1,–2) of a Ni(N<sub>2</sub>S<sub>2</sub>) Complex

2023· article· en· W4388847269 on OpenAlexafffund
Loïc P. Mangin, Yahya M. Albkuri, Jeffrey S. Ovens, Shaymaa Al Shehimy, Lhoussain Khrouz, Stephan N. Steinmann, Christophe Bucher, R. Tom Baker

Bibliographic record

VenueChemistry - A European Journal · 2023
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Ottawa
FundersMinistero dello Sviluppo EconomicoNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsOntario Ministry of Economic Development and InnovationUniversity of Ottawa
KeywordsImineDelocalized electronChemistryElectron paramagnetic resonanceRedoxLigand (biochemistry)CrystallographyElectrochemistryPhotochemistryCyclic voltammetryMedicinal chemistryInorganic chemistryPhysical chemistryNuclear magnetic resonanceOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Abstract Metal imine‐thiolate complexes, M(NS)2 are known to undergo imine C−C bond formation to give M(N2S2) complexes (M=Co, Ni) containing a redox‐active ligand. Although these transfor‐mations are not typically quantitative, we demonstrate here that the one‐electron reduction of a related Ni bis(imine‐thiolate) complex affords the corresponding paramagnetic [Ni(N2S2)]‐ anion (2⋅−) exclusively; subsequent oxidation with [Cp2Fe]BF4 then affords a high yield of neutral 2 (Cp=η5‐cyclopentadienyl). Moreover, electrochemical studies indicate that a second one‐electron reduction affords the diamagnetic dianion. Both anionic products were isolated and characterized by SC‐XRD and their electronic structures were investigated by UV‐vis spectro‐electrochemistry, EPR and NMR spectroscopy, and DFT studies. These studies show that reduction proceeds primarily on the ligand, with (N2S2)4− containing both thiolate and ring‐delocalized anions.

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 score0.004

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 head0.018
GPT teacher head0.208
Teacher spread0.190 · 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

Citations2
Published2023
Admission routes2
Has abstractyes

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Same venueChemistry - A European JournalSame topicOrganometallic Complex Synthesis and CatalysisFrench-language works237,207