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Record W2113815914 · doi:10.1039/b507539d

Infrared emission spectra and equilibrium bond lengths of gaseous ZnH2 and ZnD2

2005· article· en· W2113815914 on OpenAlex
Alireza Shayesteh, Iouli E. Gordon, Dominique Appadoo, P. F. Bernath

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

VenuePhysical Chemistry Chemical Physics · 2005
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsCanadian Light Source (Canada)University of SaskatchewanUniversity of Waterloo
Fundersnot available
KeywordsFermi resonanceChemistryInfraredBond lengthSpectral lineInfrared spectroscopyEquilibrium constantAntisymmetric relationEmission spectrumAtomic physicsAnalytical Chemistry (journal)MoleculePhysical chemistryPhysicsOptics

Abstract

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A detailed analysis of the high resolution infrared emission spectra of gaseous ZnH2 and ZnD2 in the 800-2200 cm(-1) spectral range is presented. The nu3 antisymmetric stretching fundamental bands of 64ZnH2, 66ZnH2, 67ZnH2, 68ZnH2, 64ZnD2, 66ZnD2 and 68ZnD2, as well as several hot bands involving nu1, nu2 and nu3 were rotationally analyzed, and spectroscopic constants were obtained. Rotational l-type doubling and l-type resonance, local perturbations, and Fermi resonances were observed in the vibration-rotation bands of both ZnH2 and ZnD2, and equilibrium vibrational frequencies (omega1, omega2 and omega3) were estimated. Using the rotational constants of the 000, 100, 01(1)0 and 001 vibrational levels, the equilibrium rotational constants (B(e)) of 64ZnH2 and 64ZnD2 were determined to be 3.600 269(31) cm(-1) and 1.801 985(25) cm(-1), respectively, and the associated equilibrium bond lengths (r(e)) are 1.524 13(1) angstroms and 1.523 94(1) angstroms, respectively. The difference between the r(e) values of 64ZnH2 and 64ZnD2 is about 0.01%, and is mainly due to the breakdown of the Born-Oppenheimer approximation.

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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 categoriesMeta-epidemiology (narrow)
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 score0.035
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
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)0.0000.000

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 head0.005
GPT teacher head0.230
Teacher spread0.225 · 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