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 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) | 0.001 | 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 teacher head, 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".