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Record W2792594377 · doi:10.1002/chem.201800126

Probing Magnetic‐Exchange Coupling in Supramolecular Squares Based on Reducible Tetrazine‐Derived Ligands

2018· article· en· W2792594377 on OpenAlexafffund
Maykon A. Lemes, Hilarie N. Stein, Bulat Gabidullin, Koen Robeyns, Muralee Murugesu

Bibliographic record

VenueChemistry - A European Journal · 2018
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsUniversity of Ottawa
FundersNatural Sciences and Engineering Research Council of CanadaConselho Nacional de Desenvolvimento Científico e TecnológicoUniversity of Ottawa
KeywordsTetrazineDelocalized electronChemistrySupramolecular chemistryCounterionCrystallographyComputational chemistryCrystal structureIonOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Reducible 3,6‐bis(3,5‐dimethyl‐pyrazolyl)1,2,4,5‐tetrazine was employed to isolate supramolecular air‐stable [Co4] and [Zn4] squares, which were achieved via careful selection of counterions rather than the use of reducing agents. Magnetic susceptibility studies revealed a strong radical‐CoII exchange coupling (Jrad‐Co/hc=−118 cm−1, −2J formalism) with a spin ground state of ST=4, whereas the unreduced analogue revealed negligible coupling between the Co centers (JCo‐Co/hc=−0.64 cm−1). Radical–radical coupling was also probed in the [Zn4] congener, which led to Jrad‐rad/hc=−15.9(5) cm−1. These results highlight the versatile air‐stable coordination chemistry of tetrazine and the importance of exploiting easily reducible delocalized radical to promote strong exchange coupling between spin carriers.

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 score0.003

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 head0.020
GPT teacher head0.245
Teacher spread0.225 · 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

Citations25
Published2018
Admission routes2
Has abstractyes

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Same venueChemistry - A European JournalSame topicMagnetism in coordination complexesFrench-language works237,207