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Record W2516146751 · doi:10.15278/isms.2016.wa10

INFRARED SPECTRUM OF CO-O2, A 'NEW' WEAKLY-BOUND COMPLEX

2016· article· en· W2516146751 on OpenAlexaff
Bob McKellar, Nasser Moazzen-Ahmadi, Kirk H. Michaelian, A. Barclay

Bibliographic record

Venuenot available
Typearticle
Languageen
FieldChemical Engineering
TopicCatalysis and Oxidation Reactions
Canadian institutionsNatural Resources CanadaUniversity of CalgaryNational Research Council Canada
Fundersnot available
KeywordsSpectrum (functional analysis)InfraredInfrared spectroscopyComputer sciencePhysicsOpticsQuantum mechanics

Abstract

fetched live from OpenAlex

Only a few weakly-bound complexes containing the O$_{2}$ molecule have been characterized by high-resolution spectroscopy, notably N$_{2}$O-O$_{2}$ [1] \nand HF-O$_{2}$ [2]. This neglect is no doubt due in part to the complications added by the oxygen unpaired electron spin. Here we report an extensive infrared spectrum of CO-O$_{2}$, as observed in the CO fundamental band region ($\\sim$2150 \\wn) using a tunable quantum cascade laser to probe a pulsed supersonic jet expansion. The derived energy level pattern consists of ‘stacks’ characterized by $K$, the projection of the total angular momentum on the intermolecular axis. Five such stacks are observed in the ground vibrational state, and ten in the excited state, v(CO) = 1. They are divided into two groups, with no observed transitions between groups, and we believe these groups correlate with the two lowest rotational states of O$_{2}$, namely ($N$, $J$) = (1, 0) and (1, 2). In many ways, the spectrum and energy levels are similar to those of CO-N$_{2}$ [3], and we use the same approach for analysis, simply fitting each stack with its own origin, $B$-value, and distortion constants. The rotational constant of the lowest stack in the ground state (with $K$ = 0) implies an effective intermolecular separation of 3.82 \\AA, but this should be interpreted with caution since it ignores possible effects of electron spin. \n\\vskip 0.2 truecm \n[1] H.-B. Qian, D. Seccombe, and B.J. Howard, \\textit{J. Chem. Phys.} \\textbf{107}, 7658 (1997). \n \n[2] W.M. Fawzy, C.M. Lovejoy, D.J. Nesbitt, and J.T. Hougen, \\textit{J. Chem. Phys.} \\textbf{117}, 693 (2002)

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: none
Teacher disagreement score0.634
Threshold uncertainty score0.990

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)0.0110.000

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 head0.022
GPT teacher head0.258
Teacher spread0.236 · 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

Citations0
Published2016
Admission routes1
Has abstractyes

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