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Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes

Author(s)
Chitarra, Olivia; Lee, Kin Long Kelvin; Buchanan, Zachary; Melosso, Mattia; McGuire, Brett A; Goubet, Manuel; Pirali, Olivier; Martin-Drumel, Marie-Aline; ... Show more Show less
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Abstract
<jats:p><jats:italic>Context.</jats:italic> 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.</jats:p> <jats:p><jats:italic>Aims.</jats:italic> To enable new interstellar searches for benzonitrile derivatives, the pure rotational spectra of several related species need to be investigated in the laboratory.</jats:p> <jats:p><jats:italic>Methods.</jats:italic> 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.</jats:p> <jats:p><jats:italic>Results.</jats:italic> 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.</jats:p>
Date issued
2021
URI
https://hdl.handle.net/1721.1/141109
Department
Massachusetts Institute of Technology. Department of Chemistry
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.
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