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Low-Temperature Kinetics of the HCCN + O <sub>2</sub> Reaction in an Extended Laval Nozzle with Detection by Chirped-Pulse Fourier-Transform Millimeter-Wave Spectroscopy

2025· article· en· W4416004053 on OpenAlexaboutno aff
Abbas Behzadfar, Nicolas Suas-David, Arthur G. Suits

Bibliographic record

VenueACS Earth and Space Chemistry · 2025
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsnot available
FundersDivision of Chemistry
KeywordsNozzleKineticsSpectroscopyChemical kineticsAnalytical Chemistry (journal)Reaction rate

Abstract

fetched live from OpenAlex

We report the first low-temperature kinetics measurements of an HCCN radical–radical reaction. We measured the bimolecular rate coefficients for the HCCN + O 2 reaction under pseudo-first-order conditions inside an extended Laval nozzle with detection by chirped-pulse Fourier-transform millimeter-wave (CP-FT-mmW) spectroscopy. The extended nozzle in which the reaction is performed is followed by a shock-free secondary expansion to low density and low temperature optimal for detection by rotational spectroscopy. We determined the bimolecular rate as (1.67 ± 0.06) × 10 –11 cm 3 molecule –1 s –1 at 20 K and (7.59 ± 0.12) × 10 –12 cm 3 molecule –1 s –1 at 70 K, showing a pronounced negative temperature dependence. The results are discussed in light of recent theoretical calculations and a single previous room-temperature measurement of the reaction rate.

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 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 score0.002
Threshold uncertainty score0.958

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 integrity0.0000.001
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 head0.002
GPT teacher head0.194
Teacher spread0.191 · 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.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations1
Published2025
Admission routes1
Has abstractyes

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