Infrared spectra of the OCS-CO2 complex: Observation of two distinct slipped near-parallel isomers
Bibliographic record
Abstract
Infrared spectra of OCS-CO(2) complexes are studied in a pulsed supersonic slit-jet expansion using a tunable diode laser probe in the 2060 cm(-1) region of the C-O stretching fundamental of OCS. Two bands are observed and analyzed, corresponding to two distinct isomers of the complex. Isomer a is the known form which has been previously studied in the microwave region. Isomer b is a new form, expected theoretically but first observed here. Structures are determined with the help of isotopic substitution. Both isomers are planar, with slipped near-parallel geometries. In isomer a, the intermolecular (center of mass) separation is 3.55 A and the C atom of the CO(2) is closer to the S atom of the OCS. In isomer b, the C atom of CO(2) slides closer to the O atom of OCS and the center of mass separation increases to 3.99 A. Isomer a is the lowest energy form, but paradoxically isomer b appears to be stronger in our infrared spectra. Predicted pure rotational transition frequencies are given to help in a search for the microwave spectrum of isomer b.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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 | 0.001 |
| 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".