Infrared spectra of OCS–C6H6, OCS–C6H6–He, and OCS–C6H6–Ne van der Waals complexes
Bibliographic record
Abstract
The infrared spectrum of weakly bound OCS–C6H6 is studied in the region of the ν1 fundamental band of OCS (∼2050 cm−1) using a tunable diode laser spectrometer to probe a pulsed supersonic jet expansion. This is one of the first direct infrared observations of a benzene-containing van der Waals complex. A very simple band is observed, corresponding to the parallel transition of a symmetric top. It is shifted by −11.1 cm−1 with respect to the free OCS monomer. The isotopologues OCS–C13 C125H6 and OC S34–C6H6 are observed, and the derived structure has OCS located along the benzene C6 symmetry axis in an S-bonded configuration with a center of mass separation of 4.42 Å, in good agreement with previous microwave spectra. Similar bands are observed for the trimers OCS–C6H6–He and OCS–C6H6–Ne, whose structure is obtained by adding an on-axis rare gas atom to the other side of the benzene. However, the analogous band for OCS–C6H6–Ar is not detected, raising the possibility that the stable form of this trimer may not have the same symmetrical structure. A “mystery” feature is observed close to the OCS–C6H6 band origin and its possible assignment to a cluster such as OCS–(C6H6)3 is discussed.
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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) | 0.003 | 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".