Spectroscopic investigation of the ternary Ne–Ne–OCS van der Waals cluster: additive and non-additive interactions
Bibliographic record
Abstract
The ternary Ne–Ne–OCS cluster was generated in a pulsed molecular beam and was probed using a Fourier transform microwave spectrometer. In all, nine isotopomers, namely 20Ne–20Ne–OCS, 20Ne–22Ne–OCS, 22Ne–22Ne–OCS, 20Ne–20Ne–OC34S, 20Ne–22Ne–OC34S, 22Ne–22Ne–OC34S, 20Ne–20Ne–O13CS, 20Ne–22Ne–O13CS, and 22Ne–22Ne–O13CS were studied in their natural abundances, and their rotational transitions were observed and assigned. The measured transition frequencies could be fitted adequately using a semirigid rotor model. The resulting rotational constants were used to derive structural parameters. A harmonic force field analysis based on the quartic centrifugal distortion constants was performed and was used to predict the harmonic vibrational frequencies of the van der Waals vibrational modes. For the isotopomers with Cs symmetry, i.e. 20Ne–20Ne and 22Ne–22Ne containing species, both a- and c-type transitions were observed, while for the asymmetric isotopomers, i.e. species with 20Ne–22Ne, additional, weak b-type transitions were detected. These observations are qualitatively in accord with a geometry based on a pairwise additive model. More detailed structural analyses indicate that the ternary cluster is indeed dominated by additive intermolecular interactions. However, a significant lengthening of the Ne–Ne bond as compared with the Ne–Ne dimer was detected. This is indicative of the presence of three-body non-additive contributions to the interaction energy of the ternary cluster.
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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 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 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".