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Record W4403028351 · doi:10.1002/chem.202403220

Supramolecular Spin Chains via Radical‐Radical Contacts Stabilizing Ferromagnetic Interactions Between Heisenberg or Ising‐Like Spins

2024· article· en· W4403028351 on OpenAlexafffund
Adam C. Maahs, Genievieve C. Borg, Mohamed Ghazzali, D.V. Soldatov, Mathieu Rouzières, Rodolphe Clérac, Kathryn E. Preuss

Bibliographic record

VenueChemistry - A European Journal · 2024
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsUniversity of Guelph
FundersUniversité de BordeauxAlliance de recherche numérique du CanadaCentre National de la Recherche ScientifiqueNatural Sciences and Engineering Research Council of CanadaCanada Research Chairs
KeywordsSpinsFerromagnetismParamagnetismCondensed matter physicsSupramolecular chemistrySpin (aerodynamics)Ising modelHeisenberg modelMaterials scienceChemistryCrystallographyPhysicsCrystal structureThermodynamics

Abstract

fetched live from OpenAlex

(furylpymDTDA) M=Mn, Co, Ni; hfac=1,1,1,5,5,5-hexafluoroacetylacetonato-), are reported. The solid-state structures are influenced by the geometry of the coordination sphere of the M(II) centers: trigonal (Mn) vs. octahedral (Co and Ni). While the hs-Mn(II) complex exhibits pairwise multi-centre 2-electron bonds (i. e., pancake bonds) between the planar π radical DTDA moieties, the hs-Co(II) and Ni(II) complexes crystallize with close contacts between coordinated furylpymDTDA radical ligands that define linear 1D arrays of molecular units. The magnetic data for the hs-Co(II) and Ni(II) complexes indicate ferromagnetic (FM) interactions between molecular units, apparently mediated by radical-radical contacts along the supramolecular chains. Computational analysis suggests proximity between regions of large α- and β-spin density on neighbouring molecular sites enabling FM exchange, in accordance with the McConnell I mechanism. The magnetic data for the Ni(II) complex are consistent with a Heisenberg spin chain, whereas the hs-Co(II) complex exhibits Ising-like spin chain behaviour and a magnetic phase transition to an FM ordered state at 4.6 K.

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), Scholarly communication, Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.730
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 studies0.0010.000
Scholarly communication0.0010.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0150.001

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 head0.034
GPT teacher head0.295
Teacher spread0.261 · 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

Citations2
Published2024
Admission routes2
Has abstractyes

Explore more

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