MétaCan
Menu
Back to cohort
Record W1567527673 · doi:10.1063/1.1924408

Theoretical and experimental studies of the infrared rovibrational spectrum of He2–N2O

2005· article· en· W1567527673 on OpenAlexaff
Xiaogang Wang, Tucker Carrington, Jian Tang, A. R. W. McKellar

Bibliographic record

VenueThe Journal of Chemical Physics · 2005
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsSteacie Institute for Molecular SciencesUniversité de Montréal
Fundersnot available
KeywordsRotational–vibrational spectroscopyChemistrySpectral lineAtomic physicsDipoleInfraredMoleculeTransition dipole momentTorsion (gastropod)Molecular physicsPhysicsExcited stateQuantum mechanics

Abstract

fetched live from OpenAlex

Rovibrational spectra of the He(2)-N(2)O complex in the nu(1) fundamental band of N(2)O (2224 cm(-1)) have been observed using a tunable infrared laser to probe a pulsed supersonic jet expansion, and calculated using five coordinates that specify the positions of the He atoms with respect to the NNO molecule, a product basis, and a Lanczos eigensolver. Vibrational dynamics of the complex are dominated by the torsional motion of the two He atoms on a ring encircling the N(2)O molecule. The resulting torsional states could be readily identified, and they are relatively uncoupled to other He motions up to at least upsilon(t) = 7. Good agreement between experiment and theory was obtained with only one adjustable parameter, the band origin. The calculated results were crucial in assigning many weaker observed transitions because the effective rotational constants depend strongly on the torsional state. The observed spectra had effective temperatures around 0.7 K and involved transitions with J < or =3, with upsilon(t) = 0 and 1, and (with one possible exception) with Deltaupsilon(t)=0. Mixing of the torsion-rotation states is small but significant: some transitions with Deltaupsilon(t) not equal 0 were predicted to have appreciable intensity even assuming that the dipole transition moment coincides perfectly with the NNO axis. One such transition was tentatively assigned in the observed spectra, but confirmation will require further work.

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)0.001
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.009

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0000.000
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 head0.006
GPT teacher head0.260
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

Citations74
Published2005
Admission routes1
Has abstractyes

Explore more

Same venueThe Journal of Chemical PhysicsSame topicMolecular Spectroscopy and StructureFrench-language works237,207