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Record W4366082916 · doi:10.1021/acs.jpca.3c01664

Infrared Spectra of the Water–CO<sub>2</sub> Complex in the 4.3–3.6 μm Region and Determination of the Ground State Tunneling Splitting for HDO–CO<sub>2</sub>

2023· article· en· W4366082916 on OpenAlexafffund
Travis Gartner, Clément Lauzin, A. R. W. McKellar, N. Moazzen‐Ahmadi

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2023
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Laser Applications
Canadian institutionsNational Research Council CanadaUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of CanadaFédération Wallonie-BruxellesFonds De La Recherche Scientifique - FNRS
KeywordsGround stateQuantum tunnellingSpectral lineInfrared spectroscopyInfraredChemistryAtomic physicsAnalytical Chemistry (journal)PhysicsCondensed matter physicsOpticsEnvironmental chemistryQuantum mechanics

Abstract

fetched live from OpenAlex

Spectra of water─CO 2 dimers are studied using a tunable mid-infrared source to probe a pulsed slit jet supersonic expansion. H 2 O–CO 2 and D 2 O–CO 2 are observed in the CO 2 ν 3 fundamental region (≈2350 cm –1 ), D 2 O–CO 2 is also observed in the D 2 O ν 3 fundamental region (≈2790 cm –1 ), and HDO–CO 2 is observed in the HDO O–D stretch fundamental region (≈2720 cm –1 ), all for the first time in these regions. Analysis of the spectra yields excited state rotational parameters and vibrational shifts. They also yield the first experimental values of the ground state internal rotation tunneling splittings for D 2 O–CO 2 (0.003 cm –1 ) and HDO–CO 2 (0.0234 cm –1 ). The latter value is a direct determination made possible by the reduced symmetry of HDO–CO 2 . These results provide stringent and easily interpreted tests for theoretical water–CO 2 potential energy surface calculations.

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 score0.009

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 head0.021
GPT teacher head0.275
Teacher spread0.254 · 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

Citations2
Published2023
Admission routes2
Has abstractyes

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Same venueThe Journal of Physical Chemistry ASame topicSpectroscopy and Laser ApplicationsFrench-language works237,207