Singlet Fission in Enantiomerically Pure Pentacene Dimers
Bibliographic record
Abstract
Abstract Singlet fission (SF), that is, producing two triplet excited states (T1+T1) from a single singlet excited state (S1S0), has the potential to surpass the thermodynamic Shockley–Queisser limit for solar cells of 33 %. Of great relevance for singlet fission is the (S1S0)‐to‐1(T1T1) 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(T1T1). 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.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".