Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes
Name
aa41386-21.pdf
Description
Published version
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2.49 MB
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Checksum (MD5)
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Author(s)
Chitarra, Olivia
Lee, Kin Long Kelvin
Buchanan, Zachary
Melosso, Mattia
McGuire, Brett A
Goubet, Manuel
Pirali, Olivier
Martin-Drumel, Marie-Aline
Date Issued
2021
Journal
Astronomy and Astrophysics
Publisher
EDP Sciences
Citation
Chitarra, Olivia, Lee, Kin Long Kelvin, Buchanan, Zachary, Melosso, Mattia, McGuire, Brett A et al. 2021. "Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes." Astronomy and Astrophysics, 652.
Version
Final published version
Abstract
Context. The recent interstellar detections of –CN containing aromatic species, namely benzonitrile, 1-cyanonaphthalene, and 2-cyanonaphthalene, bring renewed interest in related molecules that could participate in similar reaction networks.
Aims. To enable new interstellar searches for benzonitrile derivatives, the pure rotational spectra of several related species need to be investigated in the laboratory. Methods. We have recorded the pure rotational spectra of ortho- and meta-dicyanobenzene in the centimetre and millimetre-wave domains. Assignments were supported by high-level quantum chemical calculations. Using Markov chain Monte Carlo simulations, we also searched for evidence of these molecules towards TMC-1 using the GOTHAM survey. Results. Accurate spectroscopic parameters are derived from the analysis of the experimental spectra, allowing for reliable predictions at temperatures of interest (i.e. 10–300 K) for astronomical searches. Our searches in TMC-1 for both ortho- and meta-isomers provide upper limits for the abundances of the species.
Aims. To enable new interstellar searches for benzonitrile derivatives, the pure rotational spectra of several related species need to be investigated in the laboratory. Methods. We have recorded the pure rotational spectra of ortho- and meta-dicyanobenzene in the centimetre and millimetre-wave domains. Assignments were supported by high-level quantum chemical calculations. Using Markov chain Monte Carlo simulations, we also searched for evidence of these molecules towards TMC-1 using the GOTHAM survey. Results. Accurate spectroscopic parameters are derived from the analysis of the experimental spectra, allowing for reliable predictions at temperatures of interest (i.e. 10–300 K) for astronomical searches. Our searches in TMC-1 for both ortho- and meta-isomers provide upper limits for the abundances of the species.
MIT Department
Massachusetts Institute of Technology. Department of Chemistry
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Creative Commons Attribution 4.0 International license
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DOI of Published Version
https://doi.org/10.1051/0004-6361/202141386
