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Record W2964418606 · doi:10.1039/c9dt02158b

Mononuclear manganese(<scp>iii</scp>) complexes with reduced imino nitroxide radicals by single-electron transfer and intermolecular hydrogen bonds as an intramolecular structural driving force

2019· article· en· W2964418606 on OpenAlexafffund
Warren Madanamoothoo, Vivian Ferreol, Nicolas Bélanger‐Desmarais, Lhoussain Khrouz, Jean‐Bernard Tommasino, Christian Reber, Cédric Desroches, Dominique Luneau

Bibliographic record

VenueDalton Transactions · 2019
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsUniversité de Montréal
FundersNatural Sciences and Engineering Research Council of CanadaCentre National de la Recherche ScientifiqueUniversité Grenoble Alpes
KeywordsChemistryIntramolecular forceCrystallographyHydrogen bondIntermolecular forceRadicalNitroxide mediated radical polymerizationImidazoleElectron paramagnetic resonanceManganeseRadical ionMoleculePhotochemistryStereochemistryIonOrganic chemistryNuclear magnetic resonance

Abstract

fetched live from OpenAlex

/n and triclinic P1[combining macron] space groups, respectively. The two complexes show Jahn-Teller distortions typical of Mn(iii) centres and only reduced radicals are coordinated, as indicated by the N-O bond lengths and electroneutrality. In addition, the crystal structure analyses reveal two intermolecular hydrogen bonding networks. One involves counter-anions, water molecules and reduced radicals, and the other involves coordinated methanol molecules and imidazole moieties. These intermolecular interactions are driving forces that stabilize the two complexes. They also suggest that the tautomer is in the amino imine-oxide form after reduction of the radical and reveal the deprotonation of the imidazole ring, which is required for electroneutrality. This assessment is supported by single-crystal X-ray diffraction, EPR and Raman spectroscopy as well as magnetic and electrochemical studies.

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 categoriesMeta-epidemiology (narrow)
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 score0.045
Threshold uncertainty score1.000

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 communication0.0000.001
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 head0.007
GPT teacher head0.226
Teacher spread0.219 · 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

Citations4
Published2019
Admission routes2
Has abstractyes

Explore more

Same venueDalton TransactionsSame topicMagnetism in coordination complexesFrench-language works237,207