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Record W3097886102 · doi:10.1002/chem.202004793

Near‐Infrared Boron Difluoride Formazanate Dyes

2020· article· en· W3097886102 on OpenAlexafffund
Francis L. Buguis, Ryan R. Maar, Viktor N. Staroverov, Joe B. Gilroy

Bibliographic record

VenueChemistry - A European Journal · 2020
Typearticle
Languageen
FieldMaterials Science
TopicLuminescence and Fluorescent Materials
Canadian institutionsWestern University
FundersNatural Sciences and Engineering Research Council of CanadaOntario Ministry of Research, Innovation and Science
KeywordsPhotochemistryConjugated systemTolueneAmine gas treatingChemistryPhotoluminescenceCyclic voltammetryMoleculeInfraredBoronTertiary amineRedoxMaterials scienceElectrochemistryOrganic chemistryPhysical chemistryOptoelectronicsElectrode

Abstract

fetched live from OpenAlex

Abstract Near‐infrared (NIR) dyes are sought after for their utility in light harvesting, bioimaging, and light‐mediated therapies. Since long‐wavelength photoluminescence typically involves extensive π‐conjugated systems of double bonds and aromatic rings, it is often assumed that NIR dyes have to be large molecules that require complex syntheses. We challenge this assumption by demonstrating that facile incorporation of tertiary amine groups into readily available 3‐cyanoformazans affords efficient production of relatively simple NIR‐active BF 2 formazanate dyes (λ abs =691–760 nm, λ PL =834–904 nm in toluene). Cyclic voltammetry experiments on these compounds reveal multiple reversible redox waves linked to the interplay between the tertiary amine and BF 2 formazanate moieties. Density‐functional calculations indicate that the NIR electronic transitions in BF 2 formazanates are of π→π*‐type, but do not always involve strong charge transfer.

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)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesInsufficient payload (model declined to judge)
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 score0.040
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0010.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0040.001

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 head0.018
GPT teacher head0.210
Teacher spread0.193 · 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; both teacher heads agree on what is shown here.

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
Published2020
Admission routes2
Has abstractyes

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