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Record W2008812158 · doi:10.1063/1.3443508

Communications: Evidence for proton tunneling from the microwave spectrum of the formic acid-propriolic acid dimer

2010· article· en· W2008812158 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueThe Journal of Chemical Physics · 2010
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsSteacie Institute for Molecular Sciences
FundersDivision of ChemistryNational Science Foundation
KeywordsRotational–vibrational spectroscopyDipoleChemistryQuantum tunnellingIsotopomersAtomic physicsDeuteriumRotational spectroscopyProtonKinetic isotope effectDimerMicrowavePhysicsCondensed matter physicsExcited stateMolecule

Abstract

fetched live from OpenAlex

The microwave spectrum of the formic acid-propriolic acid dimer was measured in the 5-13 GHz range using a pulsed-beam, Fourier transform spectrometer. 22 a-dipole rotational transitions and 3 b-dipole rovibrational transitions were measured for the normal isotopomer. All of these observed transitions were split into doublets by the effects of the concerted tunneling of the two acid protons. The smaller splittings of 1-1.5 MHz for the a-dipole transitions are due to the differences in rotational constants for the upper and lower tunneling states. The b-dipole transitions are rovibrational (combination) transitions with a change in rotational state and tunneling state and provide direct information on the tunneling splittings since these observed splittings are the sum of the tunneling level splittings for the two rotational states involved in the transition. The b-dipole splittings are 55.16(0(00)-1(11)), 58.58(1(01)-2(12)), and 71.24 MHz(2(02)-3(13)). No similar splittings were observed when deuterium was substituted for either or both of the hydrogen bonding protons. For the lower tunneling state (nu(0) (+)), A=5988.7(7), B=927.782(7), and C=803.720(7) MHz. For the upper tunneling state (nu(0) (-)), A=5988(1), B=927.78(1), and C=804.06(1) MHz. Using a simple model with potential function V=ax(4)-bx(2) the splittings could be reproduced reasonably well with a barrier height of H(e)=3800 cm(-1).

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.

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 score0.077
Threshold uncertainty score0.542

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 science0.0020.000
Research integrity0.0000.001
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 head0.029
GPT teacher head0.299
Teacher spread0.270 · 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