The 103 - 360 GHz rotational spectrum of benzonitrile, the first interstellar benzene derivative detected by radioastronomy

Zdanovskaia, Maria

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https://hdl.handle.net/2142/100447 Copy

Description

Title

The 103 - 360 GHz rotational spectrum of benzonitrile, the first interstellar benzene derivative detected by radioastronomy

Author(s)

Zdanovskaia, Maria

Contributor(s)

• Kisiel, Zbigniew
• McMahon, Robert J.
• Woods, R. Claude
• Bates, Desiree M.
• Lau, Hunter Singh
• Esselman, Brian J.

Issue Date

2018-06-22

Keyword(s)

Vibrational structure/frequencies

Abstract

Benzonitrile (C7H5N, C2v, µa = 4.5 D) has recently been detected in the interstellar medium (ISM), specifically in the Taurus Molecular Cloud 1 (TMC-1), using both the technique of composite averages1−2 and by nine hyperfineresolved rotational transitions2 under 50 GHz. While benzonitrile has been thoroughly studied using infrared and cm-wave spectroscopy, no former studies have examined the rotational spectrum above 160 GHz. Herein, we present the analysis and assignment of the mm-wave rotational spectrum of benzonitrile (vibrational ground state) in the 103 – 350 GHz frequency range, which should assist in future astronomical searches. Additionally, we have completed a two-state least-squares fit of the hitherto unreported, Coriolis-coupled dyad of benzonitrile’s two lowest frequency vibrational modes: ν22 (141 cm−1 ) and ν33 (163 cm−1 ), resulting in approximately 3000 transitions per state fit to within experimental accuracy. The twostate fit accounts for many resonances between the two states and 11 nominal interstate transitions. As a result, we have determined the energy gap between the vibrational states (∆E22,33= 19.108187(7) cm−1 ) and the Coriolis coupling value (ζ22,33 a = 0.841(5)). The study demonstrates that the lowest energy fundamentals of benzonitrile follow the previously described pattern of this molecular class. 1. Kalenskii, S. V., Possible Detection of Interstellar Benzonitrile. Proceedings of the Russian-Indian workshop on radio astronomy and star formation, October 10-12, 2016 (eds. I. Zinchenko & P. Zemlyanukha), Institute of Applied Physics RAS, p.43-50, 2017. 2. McGuire, B. A.; Burkhardt, A. M.; Kalenskii, S. V.; Shingledecker, C. N.; Remijan, A. J.; Herbst, E.; McCarthy, M. C. Science 2018, 359 (6372), 202-205.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/100447

DOI

10.15278/isms.2018.FA01

Copyright and License Information

Copyright 2018 Maria Zdanovskaia

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