Molecules,
Journal Year:
2024,
Volume and Issue:
29(17), P. 3999 - 3999
Published: Aug. 23, 2024
Nanographenes
are
of
increasing
importance
owing
to
their
potential
applications
in
the
photoelectronic
field.
Meanwhile,
recent
studies
have
primarily
focused
on
pure
electronic
spectra
nanographenes,
which
been
found
be
inadequate
for
describing
experimental
that
contain
vibronic
progressions.
In
this
study,
we
effect
transition
a
range
chiral
especially
low-energy
regions
with
distinct
progressions,
using
theoretical
calculations.
All
calculations
were
performed
at
PBE0-D3(BJ)/def2-TZVP
level
theory,
adopting
both
time-dependent
and
time-independent
approaches
Franck-Condon
approximation.
The
resulting
calculated
curves
exhibited
good
alignment
data.
Notably,
nanographenes
incorporating
helicene
units,
Chemical Science,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Jan. 1, 2024
A
tether-entangled
conjugated
helices
(TECHs)
concept
is
introduced
for
helical
polyaromatic
molecules.
TECHs
can
be
directly
constructed
in
enantiopure
form
with
excellent
configurational
stability
and
persistent
chiroptical
properties.