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Peer-reviewedCC BY-NC 4.0Journal of Physical Chemistry A

Laboratory Characterization and Interstellar Search for a New Interstellar Candidate: 2,3-Butadienal

  • Laurent Margules
  • Zachary Fried
  • Roman A. Motiyenko
  • Brett A. Mcguire
  • Miguel Sanz-Novo
  • Victor M. Rivilla
  • Izaskun Jímenez-Serra
  • J.-C. Guillemin
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Abstract

Three aldehydes with unsaturated substituents: propenal, 3-hydroxypropenal, and propynal, have been detected in the interstellar medium (ISM). The structurally related molecule 2,3-butadienal, an aldehyde with an allenyl substituent, therefore represents a compelling new target for interstellar searches. To date, however, no laboratory measurements of its rotational spectrum have been reported. Here, we present the first measurements and analysis of the rotational spectrum of the most stable trans-2,3-butadienal in the 150-485 GHz frequency range, with the aim of providing the accurate spectroscopic predictions required for astronomical observations. Guided by quantum chemical calculations, we assign the ground state and the two lowest excited vibrational states and analyze the latter within a Coriolis-coupled framework. The resulting high-precision spectroscopic parameters enable reliable frequency predictions over a broad range of quantum numbers. Using this new spectroscopic model, we searched for 2,3-butadienal in public astronomical data toward TMC-1, Sgr B2(N), and G +0.693-0.027. No transitions of this molecule were detected in any of these sources. Upper limits to its column density were therefore derived, and the implications for its possible formation pathways in the ISM are discussed. The comprehensive spectroscopic characterization reported here provides a robust foundation for future astronomical searches and will facilitate efforts to detect 2,3-butadienal in diverse interstellar environments.

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Cite

BibTeXRIS
BibTeX
@article{margules2026laboratory,
  title = {{Laboratory Characterization and Interstellar Search for a New Interstellar Candidate: 2,3-Butadienal}},
  author = {Laurent Margules and Zachary Fried and Roman A. Motiyenko and Brett A. Mcguire and Miguel Sanz-Novo and Victor M. Rivilla and Izaskun Jímenez-Serra and J.-C. Guillemin},
  journal = {Journal of Physical Chemistry A},
  year = {2026},
  month = oct,
  doi = {10.1021/acs.jpca.6c00431},
  url = {https://hal.science/hal-05584250v1},
  note = {CC BY-NC 4.0},
}
RIS
TY  - JOUR
TI  - Laboratory Characterization and Interstellar Search for a New Interstellar Candidate: 2,3-Butadienal
AU  - Laurent Margules
AU  - Zachary Fried
AU  - Roman A. Motiyenko
AU  - Brett A. Mcguire
AU  - Miguel Sanz-Novo
AU  - Victor M. Rivilla
AU  - Izaskun Jímenez-Serra
AU  - J.-C. Guillemin
PY  - 2026
DA  - 2026/10/09
JO  - Journal of Physical Chemistry A
DO  - 10.1021/acs.jpca.6c00431
UR  - https://hal.science/hal-05584250v1
AB  - Three aldehydes with unsaturated substituents: propenal, 3-hydroxypropenal, and propynal, have been detected in the interstellar medium (ISM). The structurally related molecule 2,3-butadienal, an aldehyde with an allenyl substituent, therefore represents a compelling new target for interstellar searches. To date, however, no laboratory measurements of its rotational spectrum have been reported. Here, we present the first measurements and analysis of the rotational spectrum of the most stable trans-2,3-butadienal in the 150-485 GHz frequency range, with the aim of providing the accurate spectroscopic predictions required for astronomical observations. Guided by quantum chemical calculations, we assign the ground state and the two lowest excited vibrational states and analyze the latter within a Coriolis-coupled framework. The resulting high-precision spectroscopic parameters enable reliable frequency predictions over a broad range of quantum numbers. Using this new spectroscopic model, we searched for 2,3-butadienal in public astronomical data toward TMC-1, Sgr B2(N), and G +0.693-0.027. No transitions of this molecule were detected in any of these sources. Upper limits to its column density were therefore derived, and the implications for its possible formation pathways in the ISM are discussed. The comprehensive spectroscopic characterization reported here provides a robust foundation for future astronomical searches and will facilitate efforts to detect 2,3-butadienal in diverse interstellar environments.
SN  - 1089-5639
SN  - 1520-5215
ER  -