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%% Sample TeX file for the HRMS Dijon 2019 abstracts
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\documentclass[11pt]{article}

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

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\title{CHARACTERIZATION OF THE CARVONE MONOHYDRATE COMPLEX: A ROTATIONAL STUDY}

%% Note that \author and \address macros must be paired.
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%% The name(s) of author(s) presenting the work is(are) usually underlined.

\author{\underline{\FirstName S. I. \LastName MURUGACHANDRAN},
\FirstName M. E. \LastName SANZ}
\address{Department of Chemistry, King's College London, London SE1 1DB, UK}

%% The \FirstName and \LastName macros are mandatory for each author
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%% See http://www.tug.org/texlive/doc.html for a description of available packages.

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\usepackage{fancyhdr}
\pagestyle{fancy}
\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
\fancyfoot[C]{}
\renewcommand{\headrulewidth}{0.6pt}
\renewcommand{\footrulewidth}{0.6pt}

%% The hyperref package allows to include hyperlinks in a document.
%% See the instructions for abstract submission for more details.
%% WARNING: Make sure that this package comes LAST since it re-defines many LaTeX macros.
\usepackage[colorlinks=true,urlcolor=blue,linkcolor=blue,citecolor=blue]{hyperref}
\voffset -.65 cm

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\category {4,11}
\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.
Carvone (C$_{10}$H$_{14}$O, 5-isopropenyl-2-methyl-2-cyclohexenone) is one of the most abundant monoterpenoids. It is present in
many essential oils, and released to the atmosphere by both natural and anthropogenic sources. Water is abundant
in the atmosphere and in the mucus layer, and thus carvone interactions with water are of atmospheric and biological interest.
Utilising a chirped-pulse Fourier transform microwave spectrometer in the 2-8 GHz frequency range we have studied 
the carvone monohydrate complex. Supporting calculations have been carried out using both DFT and ab 
initio methods. Eight different isomers of carvone-(H$_{2}$O) have been observed and identified
 based on the comparison between their experimental and theoretical rotational constants and the 
observation of the $^{18}$O water isotopologues. Water forms complexes with all observed 
conformations of carvone in the gas phase. 
\footnote{\href{http://dx.doi.org:10.1007/s11224-012-0142-8}{doi:10.1007s11224-012-0142-8}, 
Ram$\'{o}$n Avil$\'{e}$s Moreno, Juan and R. Huet, Th$\'{e}$r$\'{e}$se and L$\'{o}$pez Gonz$\'{a}$lez, J, Struct Chem., 
\textbf{24}, 1163--70, (2013).} $^,$ \footnote{\href{https://doi.org/10.1039/C9CP05264J}{doi:10.1039/C9CP05264J}, 
D. Loru, A. Vigorito, A. F. M. Santos J. Tang, M. E. Sanz, Physical Chemistry Chemical Physics, \textbf{21(47)}, 26111-26116, (2019)}
The binding preferences 
are dictated by the formation of O--H$\cdots$O and C--H$\cdots$O hydrogen bonds. To visualise 
these interactions and gain further insight on their relative strength, non-covalent interaction, 
natural bond orbital and SAPT analyses were performed. 
\end{document}
