The chemistry of bowtiene (tricyclo[5.3.0.0<sup>2,6</sup>]decapentaene): a computational study
Bibliographic record
Abstract
Reactions of bowtiene (tricyclo[5.3.0.02,6]decapentaene, cyclobuta[1,2:3,4]dicyclopentene, bicyclopentadienylene, a tricyclic analogue of [10]annulene), in the sphere of unimolecular decomposition and dimerization were studied computationally to gauge its stability and reactivity, which are relevant to its feasability as a synthetic goal. The intuitively likeliest rearrangement mode to give species of lower energy begins with rearrangement to the 1,5-dehydronaphthalene diradical; this was calculated to have a barrier of approximately 220 kJ mol−1, too high for reaction at room temperature. Nevertheless, the energetics of rearrangement of the 1,5-diradical to the monocyclic 1,6-didehydro[10]annulene, a species of interest regarding its relationship to bowtiene and the diradical, were studied. The energy of bowtiene was compared with that of several other tricyclic 10π C10H6 cyclic polyenes.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.008 | 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".