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Record W2907215121 · doi:10.1021/acsomega.8b02384

Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives

2018· article· en· W2907215121 on OpenAlexafffund
Jérémie Grolleau, Ravil R. Petrov, Magali Allain, W. G. Skene, Pierre Frère

Bibliographic record

VenueACS Omega · 2018
Typearticle
Languageen
FieldMaterials Science
TopicLuminescence and Fluorescent Materials
Canadian institutionsBombardier (Canada)Université de Montréal
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsBenzofuranSolid-stateCombinatorial chemistryState (computer science)Molecular engineeringMaterials scienceNanotechnologyChemistryComputer scienceOrganic chemistryPhysical chemistryAlgorithm

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide A series of linear benzofuran derivatives consisting of either a vinylene or a cyanovinylene were prepared in order to investigate their emission properties. The X-ray crystallography of structurally similar derivatives was also evaluated. The crystalline structures of the vinylene derivatives showed only lateral contacts that involved the benzofurans and no π-stacking. In contrast, π-stacking was observed for the bisbenzofuran and benzofuran-phenyl cyanovinylene derivatives. No intermolecular π–π stacking was observed for the extended cyanovinylene structures. Intermolecular bonding between the nitrile and a furan atom was found. The fluorescence quantum yields (Φ fl ) of the vinylene derivatives were consistently high (>50%) in both solution and the crystal state. The exception was the benzofuran-furan-vinylene-phenyl, the Φ fl of which was <10% when in the solid state. The cyanovinylene counterparts emitted weakly in solution (Φ fl < 2%). Their luminogenic property was demonstrated with a ca. 15-fold increase in emission in the solid state. A 6-fold emission enhancement was also found when they were aggregated in a 90 vol% methanol/water mixture. The solid-state emission enhancement of the cyanovinylene benzofurans was in part attributable to intermolecular contacts that suppressed excited-state deactivation by molecular motion.

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 score0.007
Threshold uncertainty score0.515

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 head0.266
Teacher spread0.257 · 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

Citations29
Published2018
Admission routes2
Has abstractyes

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