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Title:Analysis Of The Coriolis- And Fermi-coupled Triad Near 315 cm−1  of Benzonitrile (c6h
Author(s):Zdanovskaia, Maria
Contributor(s):Kisiel, Zbigniew; McMahon, Robert J.; Woods, R. Claude; Esselman, Brian J.
Subject(s):Comparing theory and experiment
Abstract:We previously presented the least-squares fit of the benzonitrile (\chem{C_6H_5CN}, C$_{2v}$, $\mu$$_{a}$ = 4.5 D) ground vibrational state, which was fit to a partial octic Hamiltonian, as well as the first analysis of its two Coriolis-coupled, lowest-energy fundamental states, \nub{22} and \nub{33}.$^{1}$ Herein, we present the continuation of this work: the analysis and fitting of the Coriolis- and Fermi-coupled triad of the overtone and combination states (\nub{22} = 2, \nub{33} = 2, and \nub{22} + \nub{33}) near 315 \wn. Approximately 3000 transitions are assigned for each state, including multiple resonances, and their least-squares fitting results in precise energy separations that are in agreement with those expected based on the energy separation determined for \nub{22} and \nub{33}. $\\$ $\\$ 1. Zdanovskaia, M. A.; Esselman, B. J.; Lau, H. S.; Bates, D. M.; Woods, R. C.; McMahon, R. J.; Kisiel, Z. The 103 - 360 GHz Rotational Spectrum of Benzonitrile, the First Interstellar Benzene Derivative Detected by Radioastronomy. $\it{J. Mol. Spectrosc}$. $\textbf{2018}$, 351, 39-48.
Issue Date:2021-06-22
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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