A Fourier Transform-Raman Investigation of the Host−Guest Interactions of <i>p</i>-Chlorotoluene, Toluene, and Chlorobenzene Sorbed on Completely Siliceous ZSM-5
Bibliographic record
Abstract
The host−guest interactions of three related sorbates including p -chlorotoluene, toluene, and chlorobenzene adsorbed on completely siliceous ZSM-5 have been examined by Fourier-transform (FT)-Raman spectroscopy. For p -chlorotoluene/ZSM-5 systems, a phase transition was detected at a loading of 4 molecules per unit cell (u.c.). Our work confirms the results of previous studies that p -chlorotoluene/ZSM-5 and p -xylene/ZSM-5 complexes exhibit similar phase-transition behavior. However, our data also show uniquely that the sorbate−sorbent interactions are significantly stronger in the p -chlorotoluene/ZSM-5 system. For the toluene/ZSM-5 system, a sorbate-induced phase transition in the ZSM-5 framework was also observed. Based on the information obtained from the C−H stretching region, we suggest that in the low-loaded phase, toluene molecules are located at the channel intersections, whereas in the high-loaded phase, the sorbate molecules occupy both intersections and midsections of the straight channels. In the chlorobenzene, two successive phase transitions were detected at 3 and 7 molecules/u.c. Below the coverage of 5 molecules/u.c., the guest species reside in the channel intersections. At higher loading levels, a string of sorbates is formed along the straight channels. Strong one-dimensional sorbate−sorbate interactions also occur.
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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".