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Record W4296818601 · doi:10.3847/2041-8213/ac8cef

The Gas-phase Reaction of NH<sub>2</sub> with Formaldehyde (CH<sub>2</sub>O) is not a Source of Formamide (NH<sub>2</sub>CHO) in Interstellar Environments

2022· article· en· W4296818601 on OpenAlexaboutno aff
Kevin M. Douglas, Daniel I. Lucas, Catherine Walsh, Niclas A. West, Mark A. Blitz, Dwayne E. Heard

Bibliographic record

VenueThe Astrophysical Journal Letters · 2022
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsnot available
FundersScience and Technology Facilities Council
KeywordsFormamideFormaldehydeAb initioChemistryFlash photolysisReaction rate constantPotential energy surfaceQuantum tunnellingPhysical chemistryReaction rateMoleculeChemical kineticsKineticsPhotochemistryAnalytical Chemistry (journal)PhysicsOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract The first experimental study of the low-temperature kinetics of the gas-phase reaction of NH 2 with formaldehyde (CH 2 O) has been performed. This reaction has previously been suggested as a source of formamide (NH 2 CHO) in interstellar environments. A pulsed Laval nozzle equipped with laser-flash photolysis and laser-induced fluorescence spectroscopy was used to create and monitor the temporal decay of NH 2 in the presence of CH 2 O. No loss of NH 2 could be observed via reaction with CH 2 O, and we place an upper limit on the rate coefficient of &lt;6 × 10 −12 cm 3 molecule −1 s −1 at 34 K. Ab initio calculations of the potential energy surface were combined with Rice–Rampsberger–Kassel–Marcus (RRKM) calculations to predict a rate coefficient of 6.2 × 10 −14 cm 3 molecule −1 s −1 at 35 K, consistent with the experimental results. The presence of a significant barrier, 18 kJ mol −1 , for the formation of formamide as a product, means that only the H-abstraction channel producing NH 3 + CHO, in which the transfer of an H atom can occur by quantum mechanical tunneling through a 23 kJ mol −1 barrier, is open at low temperatures. These results are in contrast with a recent theoretical study, which suggested that the reaction could proceed without a barrier and was therefore a viable route to gas-phase formamide formation. The calculated rate coefficients were used in an astrochemical model, which demonstrated that this reaction produces only negligible amounts of gas-phase formamide under interstellar and circumstellar conditions. The reaction of NH 2 with CH 2 O is therefore not an important source of formamide at low temperatures in interstellar environments.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.004

Distilled classifier scores by category (both heads)

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)0.0010.000

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 head0.006
GPT teacher head0.208
Teacher spread0.202 · 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 source (direct Gemma or distilled Codex), 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

Citations35
Published2022
Admission routes1
Has abstractyes

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