New infrared spectra of CO<sub>2</sub>–Xe: modelling Xe isotope effects, intermolecular bend and stretch, and symmetry breaking of the CO<sub>2</sub> bend
Bibliographic record
Abstract
The infrared spectrum of the weakly bound CO2–Xe complex is studied in the region of the carbon dioxide ν3 fundamental vibration (≈2350 cm−1), using a tunable OPO laser source to probe a pulsed supersonic slit jet expansion. The Xe isotope dependence of the spectrum is modelled by scaling the vibrational and rotational parameters, with the help of previous microwave data. The scaling model provides a good simulation of the observed broadening and (partial) splitting of transitions in the fundamental band, and it is essential for understanding the intermolecular bending combination band where some transitions are completely split by isotope effects. The combination band is influenced by a significant bend–stretch Coriolis interaction and by the relatively large Xe isotope dependence of the intermolecular stretch frequency. The weak CO2–Xe spectrum corresponding to the (0111) ← (0110) hot band of CO2 is also detected and analysed, providing a measurement of the symmetry breaking of the CO2 bending mode induced by the nearby Xe atom. This in-plane/out-of-plane splitting is determined to be 2.14 cm−1.
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 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) | 0.000 | 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".