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Record W4408520624 · doi:10.1051/0004-6361/202453441

PDRs4All

2025· article· en· W4408520624 on OpenAlexafffund
Marion Zannese, Benoît Tabone, E. Habart, E. Dartois, J. R. Goicoechea, L. H. Coudert, Bérenger Gans, Marie‐Aline Martin‐Drumel, Ugo Jacovella, A. Faure, B. Godard, A. G. G. M. Tielens, Romane Le Gal, J. H. Black, S. Vicente, O. Berné, Eric Peeters, Dries Van De Putte, Ryan Chown, Ameek Sidhu, Ilane Schroetter, Amélie Canin, Olga Kannavou

Bibliographic record

VenueAstronomy and Astrophysics · 2025
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsWestern University
FundersCanadian Space AgencyNatural Sciences and Engineering Research Council of CanadaCentre National d’Etudes SpatialesEuropean Cooperation in Science and Technology
KeywordsRotational–vibrational spectroscopyPhysicsAstrophysicsInfraredBar (unit)AstronomySpectral line

Abstract

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Context . The methylidyne cation (CH + ) and the methyl cation (CH 3 + ) are building blocks of organic molecules in the ultraviolet (UV) irradiated gas, yet their coupled formation and excitation mechanisms mostly remain unprobed. The James Webb Space Telescope (JWST), with its high spatial resolution and good spectral resolution, provides unique access to the detection of these molecules. Aims . Our goal is to use the first detection of CH + and CH 3 + infrared rovibrational emission in the Orion Bar and in the protoplanetary disk d203-506 to probe their formation and excitation mechanisms and constrain the physico-chemical conditions of the environment. Methods . We used spectro-imaging acquired using both the NIRSpec and MIRI-MRS instruments on board JWST to study the infrared CH + and CH 3 + spatial distribution at very small scales (down to 0.1′′) and compared it to excited H 2 emission. We studied their excitation in detail, and in the case of CH + , we compared the observed line intensities with chemical formation pumping models based on recent quantum dynamical calculations. Throughout this study, we compare the emission of these molecules in two environments: the Bar a photodissociation region – and a protoplanetary disk (d203-506), both of which are irradiated by the Trapezium cluster. Results . We detected CH + and CH 3 + vibrationally excited emission both in the Bar and d203-506. These emissions originate from the same region as highly excited H 2 (high rotational and rovibrational levels) and correlate less with the lower rotational levels of H 2 ( J ′ < 5) or the emission of aromatic and aliphatic infrared bands. Our comparison between the Bar and d203-506 revealed that both CH + and CH 3 + excitation and/or formation are highly dependent on gas density. The excitation temperature of the observed CH + and CH 3 + rovibrational lines is around T ∼ 1500 K in the Bar and T ∼ 800 K in d203-506. Moreover, the column densities derived from the rovibrational emission are less than 0.1% of the total known (CH + ) and expected (CH 3 + ) column densities. These different results show that CH + and CH 3 + level populations strongly deviate from local thermodynamical equilibrium. The CH + rovibrational supra-thermal emission ( v = 1 and v = 2) can be explained by chemical formation pumping with excited H 2 via C + + H 2 * = CH + + H. The difference in the population distribution of the H 2 * energy levels between the Orion Bar and d203-506 then result in different excitation temperatures. These results support a gas phase formation pathway of CH + and CH 3 + via successive hydrogen abstraction reactions. However, we do not find any evidence of CH 3 + emission in the JWST spectrum, which may be explained by the fact its spectroscopic signatures could be spread in the JWST spectra. Finally, the observed CH + intensities coupled with a chemical formation pumping model provide a diagnostic tool to trace the local density. Conclusions . Line emission from vibrationally excited CH + and CH 3 + provides new insight into the first steps of hydrocarbon gas-phase chemistry in action. This study highlights the need for extended molecular data of detectable molecules in the interstellar medium in order to analyze the JWST observations.

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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)0.001
metaresearch head score (Gemma)0.003
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Other · Consensus signal: Other
Teacher disagreement score0.657
Threshold uncertainty score0.000

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.003
Meta-epidemiology (narrow)0.0020.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0020.002
Science and technology studies0.0010.001
Scholarly communication0.0060.002
Open science0.0030.004
Research integrity0.0030.002
Insufficient payload (model declined to judge)0.6570.653

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 head0.200
Teacher spread0.198 · 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 designNot applicable
Domainnot available
GenreOther

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

Citations17
Published2025
Admission routes2
Has abstractyes

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