The 135 ‒ 375 GHz rotational spectrum of benzoisonitrile, an isomer of the first interstellar benzene derivative detected by radioastronomy

Zdanovskaia, Maria

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https://hdl.handle.net/2142/104425 Copy

Description

Title

The 135 ‒ 375 GHz rotational spectrum of benzoisonitrile, an isomer of the first interstellar benzene derivative detected by radioastronomy

Author(s)

Zdanovskaia, Maria

Contributor(s)

• McMahon, Robert J.
• Woods, R. Claude
• Esselman, Brian J.

Issue Date

2019-06-21

Keyword(s)

Astronomy

Date of Ingest

• 2019-07-15T22:16:54Z
• 2020-01-25T19:31:42Z

Abstract

Numerous nitrile/isonitrile pairs have been detected in the interstellar medium; the isonitriles are suggested to be generated by nonthermal processes. Benzonitrile (C$_{6}$H$_{5}$CN) was recently detected in Taurus Molecular Cloud 1 (TMC-1) by radioastronomy. Herein, we report the analysis of benzoisonitrile (C$_{6}$H$_{5}$NC, $\mu$$_{a}$ = 4.0 D) ground vibrational state and its two lowest-energy vibrational states, \nub{22} (141 \wn, calculated at the B3LYP/6-311+G(2d,p) level of theory) and \nub{33} (155 \wn), in the 135 – 375 GHz frequency region. Over 4500 new rotational transitions have been measured in the ground vibrational state, main isotopologue. The rotational and distortion constants determined in this work may be used to search for benzoisonitrile in the interstellar medium. The Coriolis-coupled dyad reported herein, containing over 3000 new transitions for each vibrational state, has been analyzed for the first time, including resonances and several nominal interstate transitions, resulting in $\Delta$E$_{22,33}$ = 9.682258(3) \wn and $\zeta$$^{a}$$_{22,33}$ = 0.857780(1). Comparisons with the analogous states of benzonitrile are discussed.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Genre of Resource

Conference Paper / Presentation

Language

eng

Permalink

http://hdl.handle.net/2142/104425

DOI

https://doi.org/10.15278/isms.2019.FA08

Copyright and License Information

Copyright 2019 Maria Zdanovskaia

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