Figure 3.
(a) Relative energy of
the polaritonic ground states between the ortho intermediate
and the meta intermediate when the cavity polarization is
. (b) Relative energy of the para intermediate and the meta intermediate
for
. These relative energies are reported as
functions of the cavity mode volume
and cavity frequency ωc. The color scales indicate the relative energy, with red showing
thermodynamic favorability for the meta-substituted
cation and blue for the other. The black open circles correspond to
a cavity volume of
= 0.15 nm3 and a cavity frequency
of ωc = 1.8 eV. This volume corresponds to A0 = 0.3 a.u. and
a.u.