Parameters Influencing the Photochemical Cyclodehydrochlorination (CDHC) Reaction
Bibliographic record
Abstract
The photochemical cyclodehydrochlorination (CDHC) reaction has recently been used to prepare a wide variety of polycyclic aromatic hydrocarbons and graphene nanoribbons (GNRs). However, the parameters affecting the efficiency of this reaction have been scarcely studied. In this work, we investigated how the reaction conditions influence the outcome of the reaction. The effect of functional groups on the different phenyl rings of the o-terphenyl scaffold was also studied. The reaction kinetics follow the same trend as Hammett's constant when electron-donating and electron-withdrawing groups are present on the ring bearing the chlorine. The CDHC reaction can be successfully performed using less energetic 365 nm light in the presence of a triplet sensitizer. Computational results provide insight on the reaction mechanism, notably by identifying its three intermediate structures as well as its limiting step.
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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 | 0.001 |
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".