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Record W4296624871 · doi:10.1002/slct.202202601

Spectra of CO<sub>2</sub>‐Kr in the 4.3 μm region: Intermolecular Bend and Symmetry Breaking of the Intramolecular CO<sub>2</sub> Bend

2022· article· en· W4296624871 on OpenAlexafffund
Travis Gartner, Sye Ghebretnsae, A. R. W. McKellar, N. Moazzen‐Ahmadi

Bibliographic record

VenueChemistrySelect · 2022
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Laser Applications
Canadian institutionsNational Research Council CanadaUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsIntramolecular forceIntermolecular forceInfraredChemistryAtomic physicsInfrared spectroscopyIsotopic shiftSpectral lineAbsorption spectroscopyScalingAbsorption (acoustics)Kinetic isotope effectMolecular physicsDeuteriumPhysicsMoleculeOpticsStereochemistry

Abstract

fetched live from OpenAlex

Abstract The infrared spectrum of CO2‐Kr complex is studied in the region of the carbon dioxide ν3 fundamental vibration (≈2350 cm−1). Tunable IR radiation from an OPO is employed to record absorption spectrum of the complex generated in a pulsed supersonic slit jet. The spectrum exhibits broadening and splitting of transitions due to mass dependence of the five Kr isotopes with natural abundances exceeding 2 %. Good simulation of the spectrum is achieved by scaling the vibrational and rotational parameters. This scaling model is particularly important for the combination band involving the intermolecular bending mode where many isotope splittings are observed. As with other CO2‐rare gas complexes, we also observe weak hot bands of CO2‐Kr transitions corresponding to the hot band originating in the CO2 intramolecular bend. From these we determine a splitting of 1.418 cm−1 between the in‐plane and out‐of‐plane bend of CO2, due to the neighboring Kr atom.

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 imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.003
Threshold uncertainty score0.011

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.000

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 head0.007
GPT teacher head0.232
Teacher spread0.224 · 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 source (direct Gemma or distilled Codex), 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

Citations3
Published2022
Admission routes2
Has abstractyes

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