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Record W1887084873 · doi:10.1139/cjc-2014-0020

The neutral complex [Cr<sup>III</sup><sub>4</sub>(μ<sub>3</sub>-O)<sub>2</sub>(μ<sub>2</sub>-CH<sub>3</sub>CO<sub>2</sub>)<sub>7</sub>(<sup>t</sup>bpy<sup>0</sup>)(<sup>t</sup>bpy<sup>•</sup>)]<sup>0</sup> — a tetranuclear Cr(III) species containing a neutral (bpy<sup>0</sup>) and a π-radical anion (bpy<sup>•</sup>)<sup>1–</sup>

2014· article· en· W1887084873 on OpenAlexvenueno aff
Mei Wang, Eckhard Bill, Thomas Weyhermüller, Karl Wieghardt

Bibliographic record

VenueCanadian Journal of Chemistry · 2014
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsnot available
Fundersnot available
KeywordsChemistryElectron paramagnetic resonanceTetrahydrofuranCrystallographyIonLigand (biochemistry)Nuclear magnetic resonance

Abstract

fetched live from OpenAlex

The tetranuclear neutral species [Cr III 4 (μ 3 -O) 2 (μ 2 -CH 3 CO 2 ) 7 ( t bpy 0 )( t bpy • )] 0 ·3THF has been prepared from a mixture of [Cr II 2 (μ 2 -CH 3 CO 2 ) 4 ]·2H 2 O and 4,4′-di-tert-butyl-2,2′-bipyridine (1:2) in tetrahydrofuran (THF) under anaerobic conditions. Black crystals of [Cr III 4 (μ-O) 2 (μ-CH 3 CO 2 ) 7 ( t bpy) 2 ] 0 were grown and investigated by X-ray crystallography: a [Cr 4 O 2 ] 8+ butterfly core structure has been identified. In addition, the presence of seven μ 2 -acetate bridges, a neutral ( t bpy 0 ) ligand, and a single π-radical anion ( t bpy • ) 1– have been clearly identified. The magnetic properties have been investigated by solid-state SQUID (superconducting quantum interference device) measurements (2–300 K) and a coupling model is presented. Its X-band electron paramagnetic resonance spectrum has been recorded at 10 and 300 K in toluene solution and successfully simulated. The spin of the ( t bpy • ) 1– radical couples strongly antiferromagnetically to one Cr(III) center (J 4 = –129 cm −1 ). These properties are compared with those reported previously for the monocationic species [Cr III 4 (μ 3 -O) 2 (μ 2 -CH 3 CO 2 ) 7 (bpy 0 ) 2 ](PF 6 ) in Bino et al. (Inorg. Chem. 1991, 30, 856).

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)0.018
metaresearch head score (Gemma)0.009
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, 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 score0.039
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0180.009
Meta-epidemiology (narrow)0.0180.019
Meta-epidemiology (broad)0.0180.010
Bibliometrics0.0080.012
Science and technology studies0.0140.016
Scholarly communication0.0140.012
Open science0.0200.005
Research integrity0.0110.022
Insufficient payload (model declined to judge)0.0020.004

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 head0.016
GPT teacher head0.221
Teacher spread0.206 · 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

Citations2
Published2014
Admission routes1
Has abstractyes

Explore more

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