Bibliographic record
Abstract
The strongly twisted (calculated dihedral angle 84°) alkene orthogonene (tetracyclo[8,2,2,02,7,03,10]tetradecene-2(3)) was studied at the DFT (B3LYP/6-31G*) and ab initio (HF/6-31G* and MP2(fc)/6-31G*) levels with a view to exploring the question of how realistic a synthetic objective it is, particularly in view of the fact that an attempt was made to synthesize it. Orthogonene is a relative minimum on the potential energy surface at the B3LYP/6-31G* and MP2(fc)/6-31G* levels, but is predicted to have a very low barrier (1.2 kJ mol1 from the B3LYP calculations) to rearrangement by a 1,2-carbon shift to a carbene, which in turn isomerizes to a cyclopropane and (or) an alkene (the carbene is perhaps not a stationary point on the potential energy surface). Thus, very likely orthogonene could be observed only at temperatures approaching absolute zero, if at all.Key words: orthogonene, tetracyclo[8,2,2,02,7,03,10]tetradecene-2(3), twisted double bond, orthogonal double bond, carbene-strained alkene isomerization, ab initio, DFT.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.004 | 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".