Photochemical Valence Isomerization to High Energy Products—Bicyclobutanes and Oxabicyclobutanes<sup>†</sup>
Bibliographic record
Abstract
DFT calculations were used to determine the structures and energies of bicyclobutane and oxabicyclobutane as valence isomers derived from electronic excitation of their corresponding precursors, 1,3-butadiene and acrolein, respectively. Proton affinities of these strained compounds were determined and compared with their simple ring components, cyclopropane and ethylene oxide. The basicity as determined from proton affinities showed that bicyclobutane is the most basic saturated hydrocarbon, even more basic than oxabicyclobutane. Strain energies of these valence tautomers were computed which showed oxabicyclobutane to be significantly more strained than bicyclobutane. Qualitative reasons are provided to account for the difference in strain energies.
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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".