Files in this item

FilesDescriptionFormat

application/pdf

application/pdf1494424.pdf (38MB)
PresentationPDF

application/pdf

application/pdf4072.pdf (16kB)
AbstractPDF

Description

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:2019-07-15
2020-01-25


This item appears in the following Collection(s)

Item Statistics