An Investigation of the Dynamic and Conformational Properties of Alkylcyclohexanes Absorbed in Siliceous Zeolite ZSM-5
Bibliographic record
Abstract
The dynamic and conformational behavior of three related alkylcyclohexane molecules, cyclohexane (CH), methylcyclohexane (MCH), and trans- 1,4-dimethylcyclohexane (DMCH), loaded within completely siliceous zeolite ZSM-5 has been investigated by variable temperature FT-Raman spectroscopy. Our results indicate that at room temperature CH molecules inside the ZSM-5 framework undergo significant reorientational motions around different axes as well as ring inversion and that the reorientational motions have ceased when the temperature is lowered to 153 K. For MCH and DMCH, in contrast, the major molecular motions are removed upon initial loading into the ZSM-5 framework. At low temperatures, the symmetry of CH inside ZSM-5 clearly deviates from the perfect D 3 d symmetry of the free molecule. At room temperature, the conformational equilibrium of MCH guest molecules still exists in the ZSM-5 host, but at low temperatures, MCH adopts the equatorial conformation exclusively. Interestingly, for DMCH absorption into ZSM-5 results in an increase in the population of the high-energy, small-volume diaxial conformer. The low-temperature Raman spectra of the ZSM-5 framework have also shown that for CH/ZSM-5 and MCH/ZSM-5 complexes, the zeolite framework is not rigid and undergoes significant thermal motion at room temperature. For DMCH/ZSM-5, the zeolitic framework also undergoes thermal motion, but there is a larger distribution of Si−O−Si angles.
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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".