Infrared spectra of OCS-C(6)H(6), OCS-C(6)H(6)-He, and OCS-C(6)H(6)-Ne van der Waals complexes.
Bibliographic record
Abstract
The infrared spectrum of weakly bound OCS-C(6)H(6) is studied in the region of the nu(1) fundamental band of OCS ( approximately 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-(13)C (12)C(5)H(6) and OC (34)S-C(6)H(6) are observed, and the derived structure has OCS located along the benzene C(6) symmetry axis in an S-bonded configuration with a center of mass separation of 4.42 A, in good agreement with previous microwave spectra. Similar bands are observed for the trimers OCS-C(6)H(6)-He and OCS-C(6)H(6)-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-C(6)H(6)-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-C(6)H(6) band origin and its possible assignment to a cluster such as OCS-(C(6)H(6))(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) | 0.002 | 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".