bulk salt compounds?
Xiao-Yong Yang*
School of Chemistry and Pharmaceutical Engineering, QiLu University of
Technology, Jinan 250353, China
ABSTRACT: The existence and stability of 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
containing noble gases other than Xe. The reliability of our
calculations on the systems is assessed
by
benchmark
calculations of the well-known
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 and the
existence and stability of the salt. The validity of the theoretical
calculation methods in the benchmark calculations of allows us to adopt
a similar methodology to effectively predict the existence and stability
of 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 °C. The
salt compound is a promising candidate. Our calculations also show that
the salt compounds cannot be stabilized.