Ultrafast Triplet Formation in Thionated Perylene Diimides
Bibliographic record
Abstract
Perylene diimides (PDIs) are versatile n-type materials showing great promise in a number of optoelectronic applications. While the singlet manifold of PDI can be readily populated, triplet excited states are only accessible through complex multistep energy cascades or bimolecular sensitization. In this work, we have synthesized a series of thionated PDIs that display rapid intersystem crossing to triplet states. Significantly, the thionated PDIs are synthesized in one step from the parent compound using commercially available Lawesson’s reagent. Electrochemical and steady state optical absorption measurements show that the electron affinity and ionization potentials can be systematically tuned through successive sulfur atom substitution. Thin-film optical absorption measurements show how the number and regiochemistry of the thiocarbonyl groups influence π–π interactions in the solid state. Ultrafast transient absorption spectroscopy reveals rapid triplet formation that is independent of the degree of thionation, highlighting this approach as a facile means of accessing the triplet manifold of PDI.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| 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 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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 teacher head, 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".