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Record W2563796185 · doi:10.1021/jacs.6b11454

{Fe(NO)<sub>2</sub>}<sup>9</sup> Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical

2016· article· en· W2563796185 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueJournal of the American Chemical Society · 2016
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsMcGill University
FundersMinistry of Science and Technology, Taiwan
KeywordsChemistryElectron paramagnetic resonanceLigand (biochemistry)CrystallographyRadicalAtomic orbitalCationic polymerizationLigand field theoryBent molecular geometryMolecular orbitalStereochemistryNuclear magnetic resonanceElectronMoleculeIonPolymer chemistry

Abstract

fetched live from OpenAlex

To carry and deliver nitric oxide with a controlled redox state and rate is crucial for its pharmaceutical/medicinal applications. In this study, the capability of cationic {Fe(NO) 2 } 9 dinitrosyl iron complexes (DNICs) [( R DDB)Fe(NO) 2 ] + (R = Me, Et, Iso; R DDB = N,N ′-bis(2,6-dialkylphenyl)-1,4-diaza-2,3-dimethyl-1,3-butadiene) carrying nearly unperturbed nitric oxide radical to form [( R DDB)Fe(NO) 2 ( • NO)] + was demonstrated and characterized by IR, UV–vis, EPR, NMR, and single-crystal X-ray diffractions. The unique triplet ground state of [( R DDB)Fe(NO) 2 ( • NO)] + results from the ferromagnetic coupling between two strictly orthogonal orbitals, one from Fe d z 2 and the other a π* op orbital of a unique bent axial NO ligand, which is responsible for the growth of a half-field transition (Δ M S = 2) from 70 to 4 K in variable-temperature EPR measurements. Consistent with the NO radical character of coordinated axial NO ligand in complex [( Me DDB)Fe(NO) 2 ( • NO)] +, the simple addition of MeCN/H 2 O into CH 2 Cl 2 solution of complexes [( R DDB)Fe(NO) 2 ( • NO)] + at 25 °C released NO as a neutral radical, as demonstrated by the formation of [S 5 Fe(NO) 2 ] − from [S 5 Fe(μ-S) 2 FeS 5 ] 2– .

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.

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)0.002
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 score0.016
Threshold uncertainty score0.485

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.001
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0010.000
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 head0.019
GPT teacher head0.270
Teacher spread0.251 · 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