Optics Letters,
Год журнала:
2024,
Номер
49(15), С. 4190 - 4190
Опубликована: Июль 5, 2024
The
study
of
salicylideneaniline
(SA)
and
its
derivatives
is
critical
due
to
their
special
photophysical
properties
environmental
sensitivity.
In
this
work,
the
density
time-dependent
functional
theory
(TDDFT)
complete-active-space
self-consistent-field
(CASSCF)
methods
were
carried
out
calculate
substituent
effect
on
excited-state
dynamics
SA
derivatives.
We
found
para-substitution
triggers
intramolecular
proton
transfer
(ESIPT)
reaction,
exhibiting
dual-fluorescent
phenomena.
However,
meta-
ortho-substitutions
impel
non-radiative
transition
process
along
minimum
energy
conical
intersection
(MECI),
forming
twisted
charge
(TICT)
state
prevent
ESIPT.
This
investigation
effects
photochemical
processes
will
provide
benchmarks
for
design
fluorescent
materials.
Physical Chemistry Chemical Physics,
Год журнала:
2024,
Номер
26(13), С. 10439 - 10448
Опубликована: Янв. 1, 2024
A
method
of
regulating
the
ESDPT
process
1,8-dihydroxy-2-naphthaldehyde
using
external
electric
fields
is
proposed,
thereby
affecting
its
luminescence
properties.
