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Record W3039206642 · doi:10.1063/5.0012531

Spectra of CO2–N2 dimer in the 4.2 μm region: Symmetry breaking of the intramolecular CO2 bend, the intermolecular bend, and higher <i>K</i>-values for the fundamental

2020· article· en· W3039206642 on OpenAlexafffund
A. J. Barclay, A. R. W. McKellar, N. Moazzen‐Ahmadi

Bibliographic record

VenueThe Journal of Chemical Physics · 2020
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Laser Applications
Canadian institutionsNational Research Council CanadaUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsDimerIntramolecular forceIntermolecular forceSymmetry breakingSpectral lineSymmetry (geometry)ChemistryCrystallographyMaterials sciencePhysicsStereochemistryNuclear magnetic resonanceMoleculeMathematicsGeometryQuantum mechanics

Abstract

fetched live from OpenAlex

Infrared spectra of the CO2–N2 dimer are observed in the carbon dioxide ν3 asymmetric stretch region (≈2350 cm−1) using a tunable infrared optical parametric oscillator to probe a pulsed slit jet supersonic expansion. Previous results for the b-type fundamental band are extended to higher values of Ka. An a-type combination band involving the lowest in-plane intermolecular bending mode is observed. This yields a value of 21.4 cm−1 and represents the first experimental determination of an intermolecular mode for CO2–N2. This intermolecular frequency is at odds with the value of 45.9 cm−1 obtained from a recent 4D intermolecular potential energy surface. In addition, two weak bands near 2337 cm−1 are assigned to the CO2 hot band transition (v1, v2l2, v3) = (0111) ← (0110). They yield a value of 2.307 cm−1 for the splitting of the degenerate CO2 ν2 bend into in-plane and out-of-plane components due to the presence of the nearby N2. The in-plane mode lies at a lower energy relative to the out-of-plane mode.

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 imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.016
Threshold uncertainty score0.290

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.018
GPT teacher head0.257
Teacher spread0.240 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations15
Published2020
Admission routes2
Has abstractyes

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