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 Title: SEARCHING FOR A NITROGEN-HETEROCYCLE PRECURSOR: THE ROTATIONAL SPECTRUM OF THE β-CYANOVINYL RADICAL Author(s): Johansen, Sommer L. Contributor(s): Crabtree, Kyle N.; Martin-Drumel, Marie-Aline Subject(s): Mini-symposium: Astrochemistry and Astrobiology in the age of ALMA Abstract: While the rotational spectrum of vinyl cyanide (\ce{H2CCHCN}) was first published in 1959 and has been detected in molecular clouds Sgr B2(N) and TMC-1, the cis- and trans-$\beta$-cyanovinyl radicals (\ce{HCCHCN}, CV) not only have not been detected in the interstellar medium (ISM), their rotational spectra have not previously been reported. These radicals have been implicated in the low temperature, gas-phase formation of pyridine, making their study critical to questions of whether pyridine and other N-containing heterocycles can form in cold molecular clouds. Currently there have been no astronomical detections of N-heterocycles anywhere in the ISM. Here we present the theoretical equilibrium geometries calculated at the CCSD(T)/ANO1 level and the rotational spectra of both cis- and trans-$\beta$-CV from 5 to 80 GHz. These results will support future spectroscopy in the millimeter-wave region, astronomical searches, and kinetics and dynamics studies of N-heterocycle formation. Issue Date: 2019-06-19 Publisher: International Symposium on Molecular Spectroscopy Genre: Conference Paper / Presentation Type: Text Language: English URI: http://hdl.handle.net/2142/104491 DOI: 10.15278/isms.2019.WG07 Rights Information: Copyright 2019 Sommer L. Johansen Date Available in IDEALS: 2019-07-152020-01-25
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