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Record W2071122616 · doi:10.1139/p01-009

Fourier transform spectra and inverted torsional structure for a CH<sub>3</sub>-bending fundamental of CH<sub>3</sub>OH

2001· article· en· W2071122616 on OpenAlexafffundvenue
R. M. Lees, Li‐Hong Xu, Anders Kristoffersen, Michael Lock, Brenda P. Winnewisser, J. W. C. Johns

Bibliographic record

VenueCanadian Journal of Physics · 2001
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Laser Applications
Canadian institutionsUniversity of New Brunswick
FundersNational Research Council CanadaNatural Sciences and Engineering Research Council of CanadaNational Institute of Standards and Technology
KeywordsPhysicsFourier transformSpectral lineGround stateTorsion (gastropod)BendingPerpendicularVibrationFourier seriesAtomic physicsMolecular physicsNuclear magnetic resonanceGeometryMathematical analysisQuantum mechanics

Abstract

fetched live from OpenAlex

The high-resolution Fourier transform spectrum of CH 3 OH has been investigated in the 1400–1650 cm –1 CH 3 -bending region, and perpendicular Δ K = 1 subbands forming a consistent pattern have been identified with origins from 1490 to 1570 cm –1 . The location of the subbands as the only significant spectral features towards the upper edge of the CH 3 -bending absorption favours their assignment to the ν 4 in-plane A' asymmetric CH 3 -bending mode. The upper state term values have been fitted to J(J + 1) power-series expansions to obtain substate origins and effective B-values. The origins exhibit a linear K-dependence as well as the normal variation with K 2 . The mean effective B-value of 0.82 cm –1 is higher than that of the ground state, consistent with a bending vibration. The pattern of K-reduced torsion–vibration energies is anomalous. It appears to be inverted relative to the customary picture for n = 0 torsional levels, in agreement with a recent prediction, but has unusual periodicity significantly different from the ground state. A simple Fourier cosine series model for the energy curves gives a vibrational band origin of 1477.6 cm –1 for this CH 3 -bending mode, close to the best current calculated value for ν 4 . PACS Nos.: 33.20E, 33.80B

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 score0.013
Threshold uncertainty score0.960

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 studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
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 head0.011
GPT teacher head0.225
Teacher spread0.214 · 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

Citations17
Published2001
Admission routes3
Has abstractyes

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