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\title{INTENSITIES IN THE COMPOSITE SPECTRUM OF SF$_6$ IN MIXTURES WITH AIR AT 296 K}

\author{\underline{\FirstName A. \LastName DOMANSKAYA},
  \FirstName K. \LastName BEREZKIN, \FirstName H. \LastName BOHLIUS, \FirstName M.E. \LastName KIM, 
\FirstName G. \LastName LI, and \FirstName V. \LastName EBERT}

\address{Physikalisch-Technische Bundesanstalt (PTB), Bundesallee 100, 38116 Braunschweig, Germany}


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\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
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\index{sulfur hexafluoride}
\index{infrared intensity}

Sulfur hexafluoride (SF$_6$) is used and emitted in a variety of industrial processes, such as magnesium and aluminium production.
Becoming a minor part of the atmosphere, however small, its amount and evolution are of interest because of the the 
globar warming potential of the molecule. Hence the studies of the infrared spectra, which can be used for remote 
sensing, are of importance. SF$_6$ is a spherical molecule with Oh symmetry group. High symmetry results in a complicated
 absorption features with many vibrational bands overlapping. A recent work\footnote{\href{http://dx.doi.org/10.1039/d0cp05727d}{10.1039/d0cp05727d}, M. Rey et al., {\it PCCP\/}, {\bf 
20}, 12115 (2021).} reports an increased contribution of the hot transitions.   

In the current work, we recorded IR spectra of SF$_6$ in the mixtures of different compositions with binary air 
at 300 and 1000 mbar and 296 K in the region 550-2000 cm$^{-1}$.  In the case of SF$_6$, an assumption that the contribution 
of self-shifting and self-broadening does not have a significant impact on the absorption profile was met. It was 
possible then to combine the spectra with different partial pressures but the same total pressure as the composite 
spectrum. A similar algorithm is used in the PNNL database\footnote{\href{http://dx.doi.org/10.1366/0003702042641281}{10.1366/0003702042641281}, S.W. Sharpe et al., {\it App. Spectrosc.\/}, {\bf 
58}(12), 1452--1461 (2004).}. 

Using the composite spectra, we evaluated the integrated intensities in the region of the $\nu_4$, and $\nu_3$ fundamental 
bands as well as four binary combinations  \nu_1+\nu_3$, $\nu_1+\nu_4$, $\nu_2+\nu_3$ and $\nu_2+\nu_4$. The extended uncertainties are below 1.2% 
for the fundamental bands and $2.4 \%$ for the combinations, with the exception of the weakest $\nu_1+\nu_4$ band, which 
has an uncertainty of $7.6 \%$. Comparison with available literature data as well as the values from 
TheoReTS Information System \footnote{\href{https://doi.org/10.1016/j.jms.2016.04.006}{10.1016/j.jms.2016.04.006}, M. Rey et al., {\it J. Mol. Spectrosc.\/}, {\bf 
20}, 138--158 (2016).} is presented. 


The measurements and analysis were performed within the frame of the EMPIR project ''Metrology for Climate Relevant 
Volatile Organic Compounds'' (MetClimVOC)\footnote{EMPIR project ''Metrology for climate relevant volatile organic compounds'', 
(\href{www.metclimvoc.eu}{MetClimVOC}).}. 
The spectra were recorded using a Bruker-125 HR spectrometer at the 
PTB EUMETRICSPEC infrastructure.\footnote{Spectral reference data for atmospheric monitoring, (\href{https://www.eumetrispec.org/}{EUMETRISPEC}).}


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