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Record W4396690782 · doi:10.15278/isms.2023.6860

ANALYSIS OF COMBINED MILLIMETER-WAVE AND HIGH-RESOLUTION INFRARED SPECTRA OF 2- AND 3-FURONITRILE

2023· article· en· W4396690782 on OpenAlexaboutno aff
William H. Styers, Robert J. McMahon

Bibliographic record

Venuenot available
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsnot available
Fundersnot available
KeywordsInfraredInfrared spectroscopySpectral lineMoleculeGround stateDipoleExtremely high frequencyChemical polarityPhysicsAtomic physicsOptics

Abstract

fetched live from OpenAlex

2-Furonitrile and 3-furonitrile are highly polar CN-substituted derivatives of furan.These molecules are attractive targets for interstellar search due to their strong dipole moments ( a = 4.3 D, b = 0.7 D and a = 4.0 D, b = 0.4 D, respectively) and their ability to serve as tracer molecules for furan.In our recent work, we analyzed and assigned the millimeter-wave and high-resolution infrared (IR) spectra of 2-and 3-furonitrile for the first time.From 140-750 GHz and 140-500 GHz, respectively, the vibrational ground-state transitions of each molecule have been least-squares fit to partial octic, distorted-rotor Hamiltonians with each data set containing several thousand independent transitions.The two lowest-energy fundamental modes of both furonitriles are the Coriolis-coupled bending modes of the nitrile ( 17 and 24 ).High-resolution infrared spectra were obtained from the Canadian Light Source and provided the precise band origins of these modes for both furonitriles, as well as of 23 for 2-furonitrile.We recently reported our work on 2-furonitrile [1] and will discuss our progress in the analysis of the ground state and first two fundamental modes of 3-furonitrile.[1] Millimeter-Wave and High-Resolution Infrared Spectroscopy of 2-Furonitrile -A Highly Polar Substituted Furan.

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 score0.085
Threshold uncertainty score0.692

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.010
GPT teacher head0.230
Teacher spread0.220 · 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

Citations0
Published2023
Admission routes1
Has abstractyes

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