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Record W4407347939 · doi:10.3847/2041-8213/adacea

Laboratory Rotational Spectroscopy Leads to the First Interstellar Detection of Singly Deuterated Methyl Mercaptan (CH<sub>2</sub>DSH)

2025· article· en· W4407347939 on OpenAlexafffund
Hayley Bunn, S. Spezzano, L. H. Coudert, Jean‐Claude Guillemin, Yuxin Lin, Christian Endres, Brant Billinghurst, Olivier Pirali, J. K. Jørgensen, Valerio Lattanzi, P. Caselli

Bibliographic record

VenueThe Astrophysical Journal Letters · 2025
Typearticle
Languageen
FieldChemistry
TopicMolecular Spectroscopy and Structure
Canadian institutionsCanadian Light Source (Canada)University of Saskatchewan
FundersNatural Sciences and Engineering Research Council of CanadaCanadian Institutes of Health ResearchCentre National de la Recherche ScientifiqueCentre National d’Etudes SpatialesMax-Planck-GesellschaftCanadian Light Source
KeywordsDeuteriumSpectroscopyMolecular spectroscopyChemistryPhotochemistryAnalytical Chemistry (journal)Materials sciencePhysicsAtomic physicsOrganic chemistryAstronomy

Abstract

fetched live from OpenAlex

Abstract We report an extensive rotational spectroscopic analysis of singly deuterated methyl mercaptan (CH 2 DSH) using both millimeter and far-infrared synchrotron spectra to achieve a global torsional analysis of the three lowest torsional substates ( e 0 , e 1 , and o 1 ) of this nonrigid species. A fit including 3419 millimeter-wave transitions along with 43 infrared torsional subband centers was performed with rms deviations of 0.233 MHz and 0.270 cm −1 , respectively, resulting in 68 fit parameters. A spectroscopic catalog built from this analysis for a temperature of 125 K has led to the first interstellar detection of CH 2 DSH toward the solar-like protostar IRAS 16293-2422 B. We report the identification of 46 transitions, including eight relatively unblended lines, resulting in a derived column density of (3.0 ± 0.3) × 10 14 cm −2 . The column density ratio for HDCS/CH 2 DSH compared to HDCO/CH 2 DOH suggests a difference in the interstellar chemistry between the sulfur and oxygen complex organics, in particular a different link between H 2 CO and CH 3 OH and between H 2 CS and CH 3 SH. This is the first interstellar detection of a deuterated sulfur-bearing complex organic molecule and therefore an important step toward understanding the chemical origin of sulfur-based prebiotics.

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 score0.055
Threshold uncertainty score0.664

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
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 head0.003
GPT teacher head0.217
Teacher spread0.213 · 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

Citations3
Published2025
Admission routes2
Has abstractyes

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