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Record W4393973139 · doi:10.1021/jacs.4c01507

Controlling Interchromophore Coupling in Diamantane-Linked Pentacene Dimers To Create a “Binary” Pair

2024· article· en· W4393973139 on OpenAlexafffund
Phillip M. Greißel, Zachary W. Schroeder, Dominik Thiel, Michael J. Ferguson, Timothy Clark, Dirk M. Guldi, Rik R. Tykwinski

Bibliographic record

VenueJournal of the American Chemical Society · 2024
Typearticle
Languageen
FieldEngineering
TopicOrganic Electronics and Photovoltaics
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaAlberta InnovatesAlberta IngenuityDeutsche ForschungsgemeinschaftCanada Foundation for InnovationSolar Technologies go Hybrid
KeywordsChemistryChromophorePentaceneDimerIntramolecular forceSinglet fissionPhotoexcitationPhotochemistryTriplet stateMoleculeStereochemistryExcited statePhysical chemistryOrganic chemistryAtomic physics

Abstract

fetched live from OpenAlex

Two isomeric pentacene dimers, each linked by a diamantane spacer, have been synthesized. These dimers are designed to provide experimental evidence to support quantum mechanical calculations, which predict the substitution pattern on the carbon-rich diethynyldiamantane spacer to be decisive in controlling the interpentacene coupling. Intramolecular singlet fission ( i -SF) serves as a probe for the existence and strength of the electronic coupling between the two pentacenes, with transient absorption spectroscopy as the method of choice to characterize i -SF. 4,9-Substitution of diamantane provides a pentacene dimer ( 4,9-dimer ) in which the two chromophores are completely decoupled and that, following photoexcitation, deactivates to the ground state analogous to a monomeric pentacene chromophore. Conversely, 1,6-substitution provides a pentacene dimer ( 1,6-dimer ) that exhibits sufficiently strong coupling to drive i -SF, resulting in correlated triplet M (T 1 T 1 ) yields close to unity and free triplet (T 1 + T 1 ) yields of ca. 50%. Thus, the diamantane spacer effectively switches “on” or “off” the coupling between the chromophores, based on the substitution pattern. The binary control of diamantane contrasts other known molecular spacers designed only to modulate the coupling strength between two pentacenes.

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 score0.004

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 integrity0.0000.001
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 head0.007
GPT teacher head0.230
Teacher spread0.223 · 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

Citations10
Published2024
Admission routes2
Has abstractyes

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