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Record W2319540829 · doi:10.1021/ic101471u

Persistent Metal Bis(Hexafluoroacetylacetonato) Complexes Featuring a 2,2′-Bipyridine Substituted Triarylamminium Radical Cation

2010· article· en· W2319540829 on OpenAlexaff
Sharew Adugna, Kseniya Revunova, Brandon Djukic, Serge I. Gorelsky, Hilary A. Jenkins, Martin T. Lemaire

Bibliographic record

VenueInorganic Chemistry · 2010
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsMcMaster UniversityUniversity of OttawaBrock University
Fundersnot available
KeywordsChemistryCyclic voltammetryAcetonitrileBipyridineMetalRedoxCrystallographySubstituentAntiferromagnetismUnpaired electronOctahedronDensity functional theoryInorganic chemistryRadical ionElectron paramagnetic resonanceStereochemistryRadicalElectrochemistryComputational chemistryCrystal structurePhysical chemistryIonOrganic chemistryNuclear magnetic resonanceElectrode

Abstract

fetched live from OpenAlex

Herein, we describe the preparation of a 2,2'-bipyridine derivative containing a redox-active N,N'-(4,4'-dimethoxydiphenylamino) substituent (1), which readily coordinates M(hfac)(2) salts [M = Mn (2), Ni (3), Cu (4)] to generate stable, neutral, and pseudo-octahedral coordination complexes, which have been fully characterized. Cyclic voltammetry and spectroelectrochemical measurements on complexes 2-4 indicate stable one-electron oxidation processes, and the formation of persistent radical cation complexes. The neutral complexes (M = Mn or Ni) were subject to one-electron oxidation with NOPF(6) in acetonitrile, and magnetic moments of the resulting solutions were obtained using the Evans method at different temperatures. Our experimental results suggest that the first reported ferromagnetically coupled metal-triarylamminum radical cation complex is obtained when M = Mn(2+), and antiferromagnetic coupling results when M = Ni(2+). These results are supported by results from density functional theory calculations, which indicate that a π spin polarization mechanism for magnetic exchange coupling is operative in singly oxidized complexes, 2-4.

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)0.001
metaresearch head score (Gemma)0.001
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 score0.014
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
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 science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0140.000

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 head0.013
GPT teacher head0.234
Teacher spread0.221 · 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

Citations18
Published2010
Admission routes1
Has abstractyes

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