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\begin{document}

\title{Is it possible to synthesize MNg42+(Sb2F11-1)2 (Ng=Ar,Ne,He,M=Au, Ag,
Cu) bulk salt compounds?}



\author[1]{xiaoyong yang}%
\affil[1]{Qilu University of Technology}%


\vspace{-1em}



  
  \date{May 18, 2024}


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\begin{abstract}
The existence and stability of MNg42+(Sb2F11-1)2 (Ng=Ar,Ne,He,M=Au, Ag,
Cu) salt compounds are theoretically investigated in this study. This
undertaking is carried out to address the following challenges: (1)
synthesizing a bulk salt compound containing a noble gas lighter than
krypton and (2) synthesizing the congeners of AuXe42+(Sb2F11-1)2
containing noble gases other than Xe. The reliability of our
calculations on the MNg42+(Sb2F11-1)2 (Ng=Ar,Ne,He,M=Au, Ag, Cu) systems
is assessed by benchmark calculations of the well-known
AuXe42+(Sb2F11-1)2 salt. In the benchmark calculations, a two-pronged
evaluation strategy, including direct and indirect evaluation methods,
is used to theoretically investigate the spectroscopic constants of
AuXe42+and the existence and stability of the AuXe42+(Sb2F11-1)2 salt.
The validity of the theoretical calculation methods in the benchmark
calculations of AuXe42+(Sb2F11-1)2 allows us to adopt a similar
methodology to effectively predict the existence and stability of
MNg42+(Sb2F11-1)2 (Ng=Ar,Ne,He,M=Au, Ag, Cu) salt compounds.
Calculations based on the Born--Haber cycle using estimated lattice
energies and some necessary ancillary thermochemical data show that
MAr42+(Sb2F11-1)2 (M=Au, Ag, Cu) salt compounds can be synthesized. The
upper-limit stable temperatures are estimated to be -224.43, -146.21,
and -80.39 \selectlanguage{ngerman}°C. The CuAr42+(Sb2F11\selectlanguage{english}-1)2salt compound is a promising
candidate. Our calculations also show that the MNg42+(Sb2F11\selectlanguage{english}-1)2
(Ng=Ne,He,M=Au, Ag, Cu) salt compounds cannot be stabilized.%
\end{abstract}\selectlanguage{ngerman}%



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