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Record W3012961954 · doi:10.1002/cptc.202000016

Singlet Fission in Enantiomerically Pure Pentacene Dimers

2020· article· en· W3012961954 on OpenAlexaff
Ilias Papadopoulos, Yueze Gao, Constantin Hetzer, Rik R. Tykwinski, Dirk M. Guldi

Bibliographic record

VenueChemPhotoChem · 2020
Typearticle
Languageen
FieldChemistry
TopicPhotochemistry and Electron Transfer Studies
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsSinglet fissionIntramolecular forcePhotoexcitationExcited stateChemistrySinglet statePentacenePhotochemistryStereochemistryPhysical chemistryAtomic physicsPhysics

Abstract

fetched live from OpenAlex

Abstract Singlet fission (SF), that is, producing two triplet excited states (T 1 +T 1 ) from a single singlet excited state (S 1 S 0 ), has the potential to surpass the thermodynamic Shockley–Queisser limit for solar cells of 33 %. Of great relevance for singlet fission is the (S 1 S 0 )‐to‐ 1 (T 1 T 1 ) transformation as it is the key step in driving the efficiency of SF. In the current study, we focus on the control over intramolecular interactions in enantiomerically pure platinum linked pentacene dimers, ( S,S )‐ and ( R,R )‐ cis ‐Pt . Despite the internal heavy‐atom effect stemming from the presence of the Pt‐centered linkers, ( S,S )‐ and ( R,R )‐ cis ‐Pt undergo quantitative and solvent dependent formation of 1 (T 1 T 1 ). Implicit is an enantiomer‐independent SF mediation by means of a virtual CT intermediate in a superexchange mechanism. With the help of steady‐state and time‐resolved spectroscopic techniques, a kinetic model is developed to describe the entire deactivation pathway following photoexcitation of ( S,S )‐ and ( R,R )‐ cis ‐Pt .

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 categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
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 score0.050
Threshold uncertainty score1.000

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)0.0010.000

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 head0.018
GPT teacher head0.234
Teacher spread0.216 · 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.

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

Citations22
Published2020
Admission routes1
Has abstractyes

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