MétaCan
Menu
Back to cohort
Record W4404124938 · doi:10.1021/jacs.4c09796

A Spontaneous Magnetic Moment in an Organic Radical: Synthesis and Characterization of Benzodioxepinyl-1,3,2-dithiazolyl

2024· article· en· W4404124938 on OpenAlexafffund
Dominique Leckie, N.M. Mroz, Justin D. Wrixon, Javier Campo, Ana Arauzo, Hamed Bakhshi, Melanie Pilkington, Jeremy M. Rawson

Bibliographic record

VenueJournal of the American Chemical Society · 2024
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsBrock UniversityUniversity of Windsor
FundersAgencia Estatal de InvestigaciónNatural Sciences and Engineering Research Council of CanadaCanada Research Chairs
KeywordsChemistryCharacterization (materials science)Moment (physics)Computational chemistryNuclear magnetic resonanceOrganic chemistryNanotechnologyQuantum mechanics

Abstract

fetched live from OpenAlex

The synthesis of the 1,3,2-dithiazolyl radical ( 1 ) derived from 3,4-dihydro-2H-1,5-benzodioxepine is described. Crystals of 1 were grown by vacuum sublimation and adopt the orthorhombic space group Pbca . DC SQUID magnetometry reveals Curie–Weiss behavior for T > 20 K ( C = 0.376 emu K mol –1 and θ = +5.7 K) consistent with local ferromagnetic interactions. The presence of weaker antiferromagnetic interactions led to magnetic ordering as a canted antiferromagnet (T N = 3.8 K) with a small spontaneous moment (2.5 × 10 –4 Nβ) and a small coercivity ( ca . 8 Oe) at 2 K. Magnetic ordering was reflected in a field dependence of the magnetic susceptibility below 3.8 K and a peak in the low temperature heat capacity data. A canting angle of 0.08° was estimated from M vs H data.

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.013
Threshold uncertainty score0.445

Codex and Gemma teacher scores by category

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)0.0000.000

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 head0.009
GPT teacher head0.237
Teacher spread0.229 · 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.

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

Citations3
Published2024
Admission routes2
Has abstractyes

Explore more

Same venueJournal of the American Chemical SocietySame topicMagnetism in coordination complexesFrench-language works237,207