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\title{COMPOSITE SPECTRUM OF CF$_4$ IN MIXTURES WITH AIR: INTENSITIES OF THE FUNDAMENTAL AND COMBINATION BANDS WITH COMPATIBLE UNCERTAINTIES.}


\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{tetrafluoromethane}
\index{infrared intensity}

 Tetrafluoromethane (CF$_4$) is a minor constituent of the atmosphere with high global warming potential. Its origin 
is mainly anthropogenic and related to aluminum refining and semiconductor manufacturing. The analysis of the highly 
congested infrared  spectrum of CF4 is notoriously difficult and involving millions of lines. Besides, hot-band transitions 
contribute significantly to the infrared intensities.\footnote{\href{http://dx.doi.org/10.1016/j.jqsrt.2017.06.039}{10.1016/j.jqsrt.2017.06.039}, M. Carlos et al., {\it JQSRT\/}, {\bf 
201}, 75--93 (2017).}\footnote{\href{http://dx.doi.org/10.1039/c8cp03252a}{10.1039/c8cp03252a}, M. Rey et al., {\it PCCP\/}, {\bf 
20}, 21008--21033 (2018).} 

In the current work, we recorded IR spectra of CF$_4$ in the mixtures with binary air at 296 K in the region 550-2000 cm$^{-1}$.
 Using a commercial critical orifice gas mixer, complemented with conventional manometric mixing methods, allowed us 
to create the composite absorption cross-sections for mixtures at 500 mbar and 1000 mbar using a similar algorithm 
as in 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).}. Extensive uncertainty evaluation for every wavenumber was performed. The resulting spectra 
are free from the saturation effects and have comparable uncertainties over several orders of magnitude. 

We evaluated the integrated intensities in the region of the $\nu_4$, and $\nu_3$ fundamental bands and four binary 
combinations $\nu_2+\nu_4$, $\nu_1+\nu_4$, $\nu_2+\nu_3$ and $\nu_3+\nu_4$. Expanded uncertainties (k=2) are below $1.3 \%$ for 
the fundamental band and $2.9 \%$ 
for the combination bands, with the main contribution coming from the uncertainty of absorption pathlength. An estimate 
of the IR forbidden $\nu_1$ band was also possible. Comparison with available literature data as well as the values from 
TheoReTS Information System [2] result 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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