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Record W2139050323 · doi:10.1002/jrs.1077

Vibrational spectra of arsenic triiodide: a lattice dynamics study

2003· article· en· W2139050323 on OpenAlex
W. Y. Zeng, A. Anderson

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.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueJournal of Raman Spectroscopy · 2003
Typearticle
Languageen
FieldMaterials Science
TopicSolid-state spectroscopy and crystallography
Canadian institutionsUniversity of Waterloo
FundersNatural Sciences and Engineering Research Council of CanadaUniversity of WaterlooLanzhou University
KeywordsIntramolecular forcevan der Waals forceIntermolecular forceChemistryTriiodideRaman spectroscopyMoleculeCrystal (programming language)Crystal structureChemical physicsNormal modeMolecular physicsMolecular vibrationComputational chemistryCrystallographyPhysical chemistryVibrationStereochemistryPhysicsOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract A simple force constant model is described and applied to the vibrations of the layered molecular crystal of arsenic triiodide. The model uses nine adjustable parameters (three intramolecular and six intermolecular) to calculate the wavenumbers of 14 optical normal modes, and good agreement with observed Raman and infrared data in both the lattice and internal mode regions was obtained. Estimates of the magnitudes of the various types of interatomic forces were derived. The most important is that between As and I atoms in adjacent layers and the next is that between As atoms in the same layer. The forces between I—As—I ‘sandwiches’ are primarily of the weaker van der Waals type, which accounts for the cleavage properties of this crystal. The principal intramolecular forces show appreciable decreases in magnitude, compared with those applicable to isolated molecules, interpreted as a charge‐transfer effect from intra‐ to intermolecular bonds. Copyright © 2003 John Wiley & Sons, Ltd.

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.029
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
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 head0.274
Teacher spread0.264 · 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