Structural, Vibrational, and Electronic Characteristics of Enyne Macrocycles as a Function of Ring Strain
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
The cross-conjugated macrocycles 8a − e and acyclic model compound 12 have been synthesized and thoroughly analyzed by 1 H and 13 C NMR, UV, IR, and Raman spectroscopies, and by X-ray crystallography. The increasing ring strain and resultant changes in the double and triple bond orders are clearly detailed in the Raman and 13 C NMR spectra, as well as in the X-ray structures. Correlations between 13 C NMR shifts, bond angles, and Raman frequencies are essentially linear for the butadiynyl and olefinic moieties. The most highly strained system, 8a, displays interior alkylidene bond angles that are reduced to 108° and alkyne angles reduced to as little as 155°. The electronic absorption spectrum of 8a shows evidence of through-space homoconjugation that is manifested as a bathochromic shift of the absorption band arising from the in-plane π-system. The absorption bands from the out-of-plane π-electron systems of the more strained cycles 8a and 8b show slight bathochromic shifts as compared with the less strained systems 8c − e and acyclic 12 . Ring strain, however, has a surprisingly small effect on the electronic absorption energies of these macrocycles.
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.
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) | 0.001 | 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 it