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Record W4406421714 · doi:10.1002/chem.202403860

Panchromatic Absorption of Unsymmetrical Donor‐Acceptor Dyes Based on a <i>Meta</i>‐Conjugated 1,3,5‐Heteroaryltriazine Core

2025· article· en· W4406421714 on OpenAlexafffund
Jacob G. Rothera, Hi Taing, Menandro Cruz, Anton Dmitrienko, V. Nick Vukotic, Sean M. Ryno, Chad Risko, A. Mohan Raj, W. G. Skene, S. Holger Eichhorn

Bibliographic record

VenueChemistry - A European Journal · 2025
Typearticle
Languageen
FieldMaterials Science
TopicLuminescence and Fluorescent Materials
Canadian institutionsUniversité de MontréalUniversité du Québec à MontréalUniversity of Windsor
FundersOffice of Naval Research GlobalNatural Sciences and Engineering Research Council of CanadaU.S. NavyOffice of Naval ResearchUniversity of Windsor
KeywordsConjugated systemPanchromatic filmAcceptorCore (optical fiber)Absorption (acoustics)PhotochemistryChemistryMaterials scienceComputer scienceOrganic chemistryPhysicsPolymerImage (mathematics)Artificial intelligence

Abstract

fetched live from OpenAlex

Attachment of three different heterocycles with electron donor or acceptor character to a central 1,3,5-triazine core generates readily soluble side-chain free dyes with two displaying soft crystalline mesomorphism and one displaying a nematic liquid crystal phase as confirmed by polarized optical microscopy, calorimetry, gravimetric analysis, and powder X-ray diffraction. Equally intriguing is the dyes' relatively strong electronic communication between donor and acceptor subchromophores that are meta-conjugated to one another, which is experimentally observed as a broad intramolecular charge-transfer absorption that can extend over 100 nm past the most intense absorption event and is computationally confirmed through density functional theory (DFT) evaluations of the molecular ground- and excited-state properties. This molecular design permits the preparation of dyes with panchromatic absorption not just based on the additive absorption of individual subchromophores.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.001
Threshold uncertainty score0.003

Distilled classifier scores by category (both heads)

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)0.0010.000

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 head0.028
GPT teacher head0.254
Teacher spread0.226 · 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 source (direct Gemma or distilled Codex), 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

Citations0
Published2025
Admission routes2
Has abstractyes

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Same venueChemistry - A European JournalSame topicLuminescence and Fluorescent MaterialsFrench-language works237,207