An FT-Raman Spectroscopic Study of the Conformational Behavior of <i>trans</i>-1,4-Dichlorocyclohexane Adsorbed in Zeolites
Bibliographic record
Abstract
We have examined the conformational properties of trans -1,4-dichlorocyclohexane (DCC) adsorbed in several zeolites, including completely siliceous ZSM-5, Na−Y and siliceous Y, by using FT-Raman spectroscopy. The results indicate that the conformational behavior of DCC is dependent on the zeolite framework structure, Si/Al ratio, and the charge-balancing cations. The conformational behavior of DCC in ZSM-5 differs from that in nonpolar solvents such as carbon tetrachloride in that the population of diequatorial (ee) conformer is significantly increased relative to the diaxial (aa) form upon adsorption. The ee and aa conformers are still in dynamic equilibrium as in solution, and lowering the temperature shifts the equilibrium further toward the ee configuration. The situation for DCC incorporated inside Na−Y is markedly different. Upon adsorption, the conformation of DCC is frozen by interactions with the extraframework sodium ions in the supercages of Na−Y. These interactions also lock the guest molecules into various orientations varying from cage to cage, resulting in static disorder. The dynamic conformation equilibrium can be reestablished inside the supercages of zeolite Y by removing the Na + ions by using type Y zeolites with a much higher Si content.
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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".