Raman spectroscopic studies on structure I and structure IItrimethylene oxide hydrate
Bibliographic record
Abstract
Raman spectra were collected from structure I (sI) and structure II (sII) trimethylene oxide (TMO) hydrates at various temperatures and used to assign the vibrational modes, investigate the ordering of TMO molecules inside the cage structure, and to determine possible interactions between the guest and the host lattice. Only Raman spectra from sI hydrate could be analyzed since the low concentration of TMO prevented sII peaks from being resolved. Comparison of the Raman spectra of liquid, solid, and enclathrated TMO (sI) showed Raman shifts to higher wave numbers for the enclathrated TMO; mainly among the ring modes. The ring and (or) skeletal modes around 930 cm1 and the asymmetric CH2 stretching mode around 2970 cm1, showed shifts greater than 10 cm1. These observed changes are interpreted on the basis of the "loose-cage tight-cage" model, which interprets the shift as arising from strain induced by the hydrate cage on the guest TMO molecules in the 62 cages. In addition, variable temperature Raman studies, in the temperatures ranging from 103 to 203 K, showed no evidence of ordering and (or) reorientation of host molecules. PACS No.: 78.30.-j
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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 | 0.000 |
| 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 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".