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  Detection of interstellar H2CCCHC3N - A possible link between chains and rings in cold cores

Shingledecker, C. N., Lee, K. L. K., Wandishin, J. T., Balucani, N., Burkhardt, A. M., Charnley, S. B., et al. (2021). Detection of interstellar H2CCCHC3N - A possible link between chains and rings in cold cores. Astronomy and Astrophysics, 652: L12. doi:10.1051/0004-6361/202140698.

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Shingledecker, C. N.1, Author              
Lee, K. L. K., Author
Wandishin, J. T., Author
Balucani, N., Author
Burkhardt, A. M., Author
Charnley, S. B., Author
Loomis, R., Author
Schreer, M., Author
Siebert, M., Author
McCarthy, M. C., Author
McGuire, B. A., Author
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1Center for Astrochemical Studies at MPE, MPI for Extraterrestrial Physics, Max Planck Society, ou_1950287              

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 Abstract: Context. The chemical pathways linking the small organic molecules commonly observed in molecular clouds to the large, complex, polycyclic species long suspected of being carriers of the ubiquitous unidentified infrared emission bands remain unclear. Aims. To investigate whether the formation of mono- and polycyclic molecules observed in cold cores could form via the bottom-up reaction of ubiquitous carbon-chain species with, for example, atomic hydrogen, a search is made for possible intermediates in data taken as part of the GOTHAM (GBT Observations of TMC-1: Hunting for Aromatic Molecules) project. Methods. Markov chain Monte Carlo (MCMC) source models were run to obtain column densities and excitation temperatures. Astrochemical models were run to examine possible formation routes, including (a) a novel grain-surface pathway involving the hydrogenation of C6N and HC6N, (b) purely gas-phase reactions between C3N and both propyne (CH3CCH) and allene (CH2CCH2), and (c) via the reaction CN + H2CCCHCCH. Results. We report the first detection of cyanoacetyleneallene (H2CCCHC3N) in space toward the TMC-1 cold cloud using the Robert C. Byrd 100 m Green Bank Telescope. Cyanoacetyleneallene may represent an intermediate between less-saturated carbon chains, such as the cyanopolyynes, that are characteristic of cold cores and the more recently discovered cyclic species, such as cyanocyclopentadiene. Results from our models show that the gas-phase allene-based formation route in particular produces abundances of H2CCCHC3N that match the column density of 2 × 1011 cm−2 obtained from the MCMC source model, and that the grain-surface route yields large abundances on ices that could potentially be important as precursors for cyclic molecules.

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 Dates: 2021-08-25
 Publication Status: Published online
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 Identifiers: DOI: 10.1051/0004-6361/202140698
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Title: Astronomy and Astrophysics
  Other : Astron. Astrophys.
Source Genre: Journal
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Publ. Info: Les Ulis Cedex A France : EDP Sciences
Pages: - Volume / Issue: 652 Sequence Number: L12 Start / End Page: - Identifier: ISSN: 1432-0746
ISSN: 0004-6361
CoNE: https://pure.mpg.de/cone/journals/resource/954922828219_1