MétaCan
Menu
Back to cohort
Record W4389879346 · doi:10.1021/acs.inorgchem.3c02536

Truxene-to-Fluorenone Energy Transfer in a Robust Mesoporous Zn-MOF

2023· article· en· W4389879346 on OpenAlexafffund
Léo Boivin, Adrien Schlachter, Daniel Fortin, Pierre D. Harvey

Bibliographic record

VenueInorganic Chemistry · 2023
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversité de Sherbrooke
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryPhosphorescenceFörster resonance energy transferSinglet oxygenTime-dependent density functional theorySinglet stateDensity functional theoryMetal-organic frameworkChromophoreFluorenonePhotochemistryFluorescencePhysical chemistryComputational chemistryExcited stateOrganic chemistryAtomic physicsFluorenePolymerOxygen

Abstract

fetched live from OpenAlex

A new metal–organic framework (MOF; [Zn 4 O( hett ) 4/3 ( fluo ) 1/2 ( bdc ) 1/2 ] n; TFT-MOF ) constructed on chromophoric ligands 5,5′,10,10′,15,15′-hexaethyltruxene-2,7,12-triacetate ( hett ), 9-fluorenone-2,7-dicarboxylate ( fluo ), terephthalate ( bdc ), and the Zn 4 O node has been prepared and identified by powder X-ray diffraction. This luminescent MOF exhibits large mesoporous pores of 2.7 nm based on computer modeling using density functional theory (DFT) calculations. The steady-state and time-resolved fluorescence spectra and photophysical parameters of TFT-MOF have been investigated and compared with those of the free ligands and their basic chromophores. All in all, TFT-MOF exhibits particularly efficient singlet–singlet energy-transfer processes described as 1 ( hett )* → ( fluo ) and 1 ( bdc )* → ( fluo ), leading to fluorescence arising for the fluo lumophore operating only through Förster resonance energy transfer (FRET) with an efficiency of transfer of up to >95%. This experimental conclusion was corroborated by DFT and time-dependent DFT (TDDFT). For the 1 ( hett )* → ( fluo ) process, the approximated overall rate constant of energy transfer was evaluated to be at most 2.04 × 10 10 s –1 (using a Stern–Volmer approach of solution data and the relationship between distance and concentration). This process was analyzed using the Förster theory, where two intrapore energy transfer paths of center-to-center distances of 13 and 25 Å have been identified. TFT-MOF photosensitizes the formation of singlet oxygen ( 1 O 2 ( 1 Σ g )) as detected by its phosphorescence signal at 1275 nm.

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 score0.002
Threshold uncertainty score0.004

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)0.0000.000

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 head0.015
GPT teacher head0.223
Teacher spread0.208 · 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

Citations8
Published2023
Admission routes2
Has abstractyes

Explore more

Same venueInorganic ChemistrySame topicMetal-Organic Frameworks: Synthesis and ApplicationsFrench-language works237,207