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\title{FAR-INFRARED SPECTRUM OF CYCLOHEXANE FROM SOLEIL SYNCHROTRON SOURCE}

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%%S. Alessandrini, M. Melosso, M.-A. Martin-Drumel, O. Pirali
\author{\underline{\FirstName S. \LastName ALESSANDRINI},
        \FirstName M. \LastName MELOSSO,
        \FirstName L. \LastName BIZZOCCHI,
        \FirstName C. \LastName PUZZARINI}
\address{Dipartimento di Chimica ``Giacomo Ciamician'', Universit\`{a} di Bologna, Via F.~Selmi 2, 40126 Bologna, Italy.}

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\author{\FirstName M.~A. \LastName MARTIN-DRUMEL}
\address{Universit\'e Paris-Saclay, CNRS, Institut des Sciences Mol\'eculaires d'Orsay, 91405 Orsay, France.}
\author{\FirstName O. \LastName PIRALI}
  \address{Universit\'e Paris-Saclay, CNRS, Institut des Sciences Mol\'eculaires d'Orsay, 91405 Orsay, France; SOLEIL Synchrotron, AILES beamline, l'Orme des Merisiers, 91190 Saint-Aubin, Gif-sur-Yvette, France.}
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\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
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\begin{document}

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\index{Synchrotron radiation}
\index{Far infrared}

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Cyclohexane (C$_6$H$_{12}$) is a well-known species in chemistry and it is commonly used
as apolar solvent in several applications.
Due to the lack of permanent dipole moment, pure rotational transitions of cyclohexane cannot be observed. The determination of its molecular geometry in the isolated environment of the gas phase is still challenging and the best structure reported in the literature is based on isotopic substitution\footnote{\href{https://doi.org/10.1021/ja00159a007}{doi: 10.1021/ja00159a007} J. Dommen, T. Brupbacher, G. Grassi, A. Bauder, Microwave spectra of isotopic species and substitution structure of cyclohexane, \textit{J. Am. Chem. Soc.}, \textbf{112}, 953-957, (1990).} ($r_s$).
Still, a way to access the ground state rotational constants ($B_0$) of cyclohexane, is provided by Raman\footnote{\href{https://doi.org/10.1021/jp207290g}{doi: 10.1021/jp207290g} G. Br\"{u}gger, H.-M. Frey, P. Steinegger, P. Kowalewski, S. Leutwyler, Femtosecond Rotational Raman Coherence Spectroscopy of Cyclohexane in a Pulsed Supersonic Jet, \textit{J. Phys. Chem. A}, \textbf{115}, 12380-12389, (2011)} and infrared
(IR) spectroscopy.
The latter technique was recently used to study the vibrational excited states of
cyclohexane\footnote{\href{https://doi.org/10.1021/acs.jpca.0c09185}{doi:10.1021/acs.jpca.0c09185}
P. F. Bernath and E. L. Sibert III, Cyclohexane Vibrations: High-Resolution Spectra and Anharmonic Local Mode Calculations, \textit{J. Phys. Chem. A}, \textbf{124}, 9991-10000, (2020).}
between 1100 to 4000\,cm$^{-1}$.
However, the ro-vibrational analysis of the cyclohexane fundamentals is not complete as
the two IR active modes ($\nu_{32}$ and $\nu_{16}$), located in the far-infrared (FIR) region, have never been observed.
Indeed, these two bands of cyclohexane are predicted as very weak in intensity and the corresponding high-resolution spectra were obtained using the synchrotron radiation
available at the AILES beamline of SOLEIL.
First, a weak band centered at around 520\,cm$^{-1}$ was observed, which was safely assigned to the $\nu_{16}$ fundamental band.
Using literature data in combination with \textit{ab initio} parameters as guideline, about 3500~transitions were assigned. The data obtained from this fit were then used to 
identify the $\nu_{32} + \nu_{16} - \nu_{32}$ hot band, and other hot bands that are currently under investigation.
These results and those involving the lowest band at about 240\,cm$^{-1}$ ($\nu_{32}$) will be illustrated and combined with the other data of the literature, thus providing a full characterization of the IR spectrum for cyclohexane.


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