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\documentclass[11pt]{article}

\usepackage{hrms}  %% Page settings, style ... for the HRMS abstract book.

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\title{THE ROTATIONAL, RO-VIBRATIONAL EXPERIMENTAL AND COMPUTATIONAL INVESTIGATION OF MONODEUTERATED CHLOROMETHANE}

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\author{\underline{\FirstName F. \LastName TAMASSIA},
        \FirstName E. \LastName CAN\`E}
\address{Dipartimento di Chimica Industriale ``Toso Montanari'', Universit\`a di Bologna, Viale
del Risorgimento 4, 40136 Bologna (Italy)}

\author{\FirstName A. \LastName DE LORENZI, \FirstName A. \LastName PIETROPOLLI CHARMET, \FirstName P. \LastName STOPPA}
\address{Dipartimento di Scienze Molecolari e Nanosistemi, Universit{\`{a}} C\`a Foscari Venezia, Via Torino 155, 30172 Mestre Venezia (Italy)}

\author{\FirstName A. \LastName ACHILLI, \FirstName L. \LastName DORE, \FirstName M. \LastName MELOSSO, \FirstName C. \LastName PUZZARINI}
\address{Dipartimento di Chimica ``Giacomo Ciamician'', via F. Selmi 2, Universit\`a di Bologna, 40126 Bologna (Italy)}


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\usepackage{fancyhdr}
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\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
\fancyfoot[C]{}
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\category {3,4}
\begin{document}

\maketitle  %% This will also build the list of author(s) and addresse(s).

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%% Place the body of your abstract below.
The comprehensive description of our spectroscopic analyses and ab initio calculations for the
mono-deuterated chloromethane, CH$_2$D$^{37}$Cl, is presented.
It includes the detection of $\nu_4$ and $\nu_8$ ro-vibrational fundamental bands between 1170~and
1370\,cm$^{-1}$ in the recently recorded high-resolution FTIR spectra
({\href{}{} P.~Stoppa et al., High resolution FTIR spectrum of CH$_2$D$^{37}$Cl: $\nu_4$ and $\nu_8$
fundamental bands, accepted in JQSRT}) and our detailed previous analysis of $\nu_5$, $\nu_6$ and
$\nu_9$ fundamentals between~650 and 1100\,cm$^{-1}$
({\href{https://doi.org/10.1016/j.jqsrt.2021.107719}{doi:10.1016/j.jqsrt.2021.107719},
P.~Stoppa et al., High resolution FTIR study of the $\nu_5$, $\nu_6$ and $\nu_9$ fundamental bands
of CH$_2$D$^{37}$Cl, JQSRT 270, 107719, 2021}).
The vibration analyses from the medium resolution (up to 0.1\,cm$^{-1}$ ) gas-phase infrared spectra
of CH$_2$DCl, investigated in the region 600-9000\,cm$^{-1}$, are also reported
({\href{http://dx.doi.org/10.1364/AO.39.003984}{doi:10.1364/AO.39.003984}, A. Pietropolli Charmet,
Computational, rotational and ro-vibrational experimental investigation of monodeuterated chloromethane,
JQSRT 305, 108624, 2023}).
All most important spectral features have been assigned in terms of fundamental, overtone and combination bands,
achieving an accurate description of the vibrational structure.

The rotational spectra of the $^{13}$C species have been recorded for the first time in the 250-300\,GHz
frequency range and, for the two isotopologues $^{12}$CH$_2$D$^{35}$Cl and $^{12}$CH$_2$D$^{37}$Cl,
the knowledge has been extended up to 520\,GHz.
In addition, very accurate ab initio calculations have been performed in order to derive reliable predictions
of the equilibrium structure, rotational constants, and centrifugal distortion terms for the $^{12/13}$C and $^{35/37}$Cl
isotopologues.
The accurate semi-experimental equilibrium structure of chloromethane has been derived.
This extended experimental and computational spectroscopic work will be useful to assist the detection
of CH$_2$DCl in remote environments.


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