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Record W3100475764

INFRARED BANDS OF CS2 DIMER AND TRIMER AT 4.5 \t μm

2019· article· en· W3100475764 on OpenAlexafffund
A. J. Barclay

Bibliographic record

VenueIDEALS (University of Illinois Urbana-Champaign) · 2019
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Laser Applications
Canadian institutionsUniversity of Calgary
FundersCanadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada
KeywordsTrimerDimerInfraredCrystallographyMaterials scienceChemistryOpticsPhysicsNuclear magnetic resonance
DOInot available

Abstract

fetched live from OpenAlex

We report observation of new infrared bands of \\chem{(CS_2)_2} and \\chem{(CS_2)_3} in the region of the \\chem{CS_2} \\nub{1} + \\nub{3} combination band (at 4.5 $\\mu$m) using a quantum cascade laser. The complexes are formed in a pulsed supersonic slit-jet expansion of a gas mixture of carbon disulfide in helium. We have previously shown that the most stable isomer of \\chem{(CS_2)_2} is a cross-shaped structure with \\chem{D_{2d}} symmetry and that for \\chem{(CS_2)_3} is a barrel-shaped structure with \\chem{D_3} symmetry. The dimer has one doubly degenerate infrared-active band in the \\nub{1} + \\nub{3} region of the \\chem{CS_2} monomer. This band is observed to have a rather small vibrational shift of -0.846 \\wn. We expect one parallel and one perpendicular infrared-active band for the trimer but observe two parallel and one perpendicular bands. Much larger vibrational shifts of -8.953 \\wn for the perpendicular band and -8.845 \\wn and +16.681 \\wn for the parallel bands are observed. Vibrational shifts and possible vibrational assignments, in the case of the parallel bands of the trimer, are discussed using group theoretical arguments.

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 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 score0.209
Threshold uncertainty score0.994

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)0.0070.000

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 head0.006
GPT teacher head0.185
Teacher spread0.180 · 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.

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

Citations5
Published2019
Admission routes2
Has abstractyes

Explore more

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