Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes
<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.</j...
| Main Authors: | , , , , , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
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EDP Sciences
2022
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| Online Access: | https://hdl.handle.net/1721.1/141109 |
| _version_ | 1826198616969052160 |
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| author | Chitarra, Olivia Lee, Kin Long Kelvin Buchanan, Zachary Melosso, Mattia McGuire, Brett A Goubet, Manuel Pirali, Olivier Martin-Drumel, Marie-Aline |
| author2 | Massachusetts Institute of Technology. Department of Chemistry |
| author_facet | Massachusetts Institute of Technology. Department of Chemistry Chitarra, Olivia Lee, Kin Long Kelvin Buchanan, Zachary Melosso, Mattia McGuire, Brett A Goubet, Manuel Pirali, Olivier Martin-Drumel, Marie-Aline |
| author_sort | Chitarra, Olivia |
| collection | MIT |
| description | <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> |
| first_indexed | 2024-09-23T11:07:36Z |
| format | Article |
| id | mit-1721.1/141109 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T11:07:36Z |
| publishDate | 2022 |
| publisher | EDP Sciences |
| record_format | dspace |
| spelling | mit-1721.1/1411092023-02-01T21:53:27Z Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes Chitarra, Olivia Lee, Kin Long Kelvin Buchanan, Zachary Melosso, Mattia McGuire, Brett A Goubet, Manuel Pirali, Olivier Martin-Drumel, Marie-Aline Massachusetts Institute of Technology. Department of Chemistry <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> 2022-03-10T15:21:20Z 2022-03-10T15:21:20Z 2021 2022-03-10T15:11:55Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/141109 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. en 10.1051/0004-6361/202141386 Astronomy and Astrophysics Creative Commons Attribution 4.0 International license https://creativecommons.org/licenses/by/4.0/ application/pdf EDP Sciences EDP Sciences |
| spellingShingle | Chitarra, Olivia Lee, Kin Long Kelvin Buchanan, Zachary Melosso, Mattia McGuire, Brett A Goubet, Manuel Pirali, Olivier Martin-Drumel, Marie-Aline Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes |
| title | Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes |
| title_full | Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes |
| title_fullStr | Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes |
| title_full_unstemmed | Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes |
| title_short | Hunting the relatives of benzonitrile: Rotational spectroscopy of dicyanobenzenes |
| title_sort | hunting the relatives of benzonitrile rotational spectroscopy of dicyanobenzenes |
| url | https://hdl.handle.net/1721.1/141109 |
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