Ultra-Narrowband Circularly Polarized Luminescence from Multiple 1,4-Azaborine-Embedded Helical Nanographenes
Journal of the American Chemical Society,
Год журнала:
2024,
Номер
146(43), С. 29782 - 29791
Опубликована: Окт. 22, 2024
In
this
manuscript
we
present
a
strategy
to
achieve
ultranarrowband
circularly
polarized
luminescence
(CPL)
from
multiple
1,4-azaborine-embedded
helical
nanographenes.
The
impact
of
number
and
position
boron
nitrogen
atoms
in
the
rigid
core
molecule
on
optical
properties─including
absorption
emission
maxima,
photoluminescence
quantum
yield,
Stokes
shift,
excited
singlet–triplet
energy
gap
full
width
at
half-maximum
(fwhm)
for
CPL
fluorescence─was
investigated.
molecules
reported
here
exhibits
fluorescence
(fwhm
16–17.5
nm
toluene)
18–19
toluene).
To
best
our
knowledge,
is
among
narrowest
any
organic
date.
Quantum
chemical
calculations,
including
computed
spectra
involving
vibronic
contributions,
provide
valuable
insights
future
molecular
design
aimed
achieving
narrowband
CPL.
Язык: Английский
C3-Chiral truxenes showing high circularly polarized fluorescence and phosphorescence properties based on symmetry-forbidden transition
Опубликована: Март 29, 2024
Significant
effort
has
been
devoted
to
creating
new
molecules
that
show
circularly
polarized
luminescence
(CPL)
and
can
be
used
in
devices
from
both
experimental
theoretical
approaches.
Here
we
a
design
strategy
achieve
large
dissymmetric
factor
(g
value)
for
CPL
based
on
the
symmetry-forbidden
transition
of
π-conjugated
molecules.
This
approach
was
successfully
demonstrated
by
simple
syn-5,10,15-trisubstituted
truxenes
exhibiting
excellent
g
value
order
10–2.
A
Herzberg-Teller
vibronic
analysis
variable-temperature
measurements
revealed
molecular
vibrations
dramatically
lower
intensity
CPL.
Furthermore,
at
low
temperatures,
syn-5,10,15-trimethyltruxene
exhibits
prolonged
strong
phosphorescent
CPL,
which
analyzed
calculating
dipole
moments
using
orbitals
triplet
excited
state.
Leveraged
these
findings,
conformationally
rigid
double-decker-type
truxene
with
robust
properties
high
temperatures
applied
as
an
emitter
electroluminescence
value.
Язык: Английский
Chiral dual-annihilator model for controllable photon upconversion and multi-dimensional optical modulation
Honghan Ji,
Zhi‐Wang Luo,
Xuefeng Yang
и другие.
Nature Communications,
Год журнала:
2025,
Номер
16(1)
Опубликована: Май 28, 2025
Язык: Английский
Theoretical Study on Vibrationally Resolved Electronic Spectra of Chiral Nanographenes
Molecules,
Год журнала:
2024,
Номер
29(17), С. 3999 - 3999
Опубликована: Авг. 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,
Язык: Английский
Structures, Chiroptical Properties, and Unexpectedly Facile Helical Inversion of Highly Elongated Anthracene‐Fused Expanded Helicenes
Chemistry - A European Journal,
Год журнала:
2024,
Номер
unknown
Опубликована: Дек. 12, 2024
Helical
fused
anthracenes
were
elongated
by
fusing
additional
aromatic
units
at
both
ends
to
yield
novel
expanded
helicenes.
Compounds
[5]HA2N
and
[7]HA
consisting
of
19
21
benzene
rings,
respectively,
synthesized
fourfold
cycloisomerization
the
corresponding
terminal
alkyne
precursors.
The
helical
structures
confirmed
X-ray
crystallographic
analysis,
where
frameworks
stacked
effectively
with
turn
numbers
exceeding
two.
enantiomers
two
compounds
resolved
chiral
HPLC.
Whereas
readily
underwent
enantiomerization
room
temperature
barrier
91
kJ
mol
Язык: Английский