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Title:The Rotational Analyses Of 2-cyanopyrimidine (c5h3n3) And 2-
Author(s):Smith, Houston H.
Contributor(s):McMahon, Robert J.; Woods, R. Claude; Esselman, Brian J.
Subject(s):Rotational structure/frequencies
Abstract:2-Cyanopyrimidine and 2-cyanopyrazine are attractive molecules for interstellar detection via radioastronomy because they are the pyrimidine and pyrazine analogs of the detected interstellar molecule, benzonitrile, and have substantial dipole moments ($\mu$ $_{a}$ = 6.47 D and $\mu$ $_{a}$ = 4.22 D, respectively). In the present work, we have analyzed and assigned the rotational spectrum of 2-cyanopyrimidine (\chem{C_5H_3N_3}) and 2-cyanopyrazine (\chem{C_5H_3N_3}) for the first time. Using data in the 130 – 360 GHz frequency region, the vibrational ground states of 2-cyanopyrimidine and 2-cyanopyrazine have been least-squares fit to partial octic, distorted-rotor Hamiltonians (N$_{lines}$ $\sim$ 4000, $\sigma$ = 40 kHz, and N$_{lines}$ $\sim$ 3900, $\sigma$ = 39 kHz, respectively). The resulting spectroscopic constants are sufficient for spectral prediction outside of the studied frequency range and enable, for the first time, radioastronomical searches for these molecules. Work currently continues on the least-squares fit of the Coriolis-coupled dyad of the two lowest-energy vibrationally excited states for each molecule. The progression of each least-squares fit will be presented along with a comparison between the two isomers. The complete analysis of these states is expected to yield a highly precise energy separation between these vibrationally excited states, along with an interesting comparison to the analogous dyads of benzonitrile and the cyanopyridines.
Issue Date:2021-06-24
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/111603
Date Available in IDEALS:2021-09-24


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