Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes
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.
- Publication:
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Astronomy and Astrophysics
- Pub Date:
- August 2021
- DOI:
- Bibcode:
- 2021A&A...652A.163C
- Keywords:
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- methods: laboratory: molecular;
- techniques: spectroscopic;
- astrochemistry;
- ISM: abundances;
- submillimeter: general