Tailoring the Reaction Path in the On-Surface Chemistry of Thienoacenes
Bibliographic record
Abstract
Oligothiophenes provide rich opportunities for surface confined reactions that can lead to two-dimensional materials. We have performed systematic studies of tetrathieno-anthracene (TTA) based molecules on different transition metal surfaces to reveal the details of their on-surface chemistry. On the (111) surfaces of Ni, Pd, and Cu, we observe the sulfur abstraction from the monomer following thermal activation, whose yield varies with the type of metal surface. On Ni(111) and Pd(111) the internal design of the 2TTA isomer promotes intramolecular rebonding to produce pentacene, whereas geometrical constraints prevent the 3TTA isomer from intramolecular rebonding, promoting oligomerization. On Cu(111), desulfurization is preceded by dehydrogenation, which introduces metal-mediated intermolecular coupling in 2TTA. This organometallic phase is stable up to 200 °C. On all surfaces, the desulfurization and dehydrogenation of the molecules are important reaction pathways which define the bonding geometries of the products.
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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 | 0.001 | 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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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".