Combined Experimental and Theoretical Investigations of a Photoswitching Dimorphic Chlorinated Schiff Base
The Journal of Physical Chemistry C,
Год журнала:
2024,
Номер
128(44), С. 18901 - 18912
Опубликована: Окт. 29, 2024
Polymorphism
in
organic
compounds
is
a
fascinating
phenomenon
with
diverse
applications.
Rational
development
of
polymorphic
forms
challenging
and
demands
more
investigations.
Subtle
variations
functional
groups
can
lead
to
variation
intra-
as
well
intermolecular
interactions
promote
polymorphism.
We
report
chlorinated
sulfonated
Anil
1
its
crystallization
two
forms,
1a
1b,
which
are
conformational
polymorphs.
Structural
studies
reveal
polymorphism
arises
due
rotation
about
the
C═N–C═C
bond
subsequent
prototropism,
planar
form
exists
keto
while
twisted
1b
an
enol
tautomer.
Color
attributed
difference
extent
molecular
conjugation,
emission
switching
packing.
Density
theory
(DFT)
have
been
carried
out
understand
packing
explain
optical
properties.
To
further
effect
nature
halogen
atoms
on
electronic
properties,
bromo
iodo
derivatives
reported
studied.
Aggregation-induced
(AIE)
sensitivity
acids,
nitroaromatics
like
picric
acid,
heavy
metal
ions
Hg(II)
for
Язык: Английский
Design of AIE‐active Schiff‐bases: Mechanochromic, Thermochromic and Sensing Studies
Mahraj Din Malla,
Asif A. Malik,
Aadil A. Ahangar
и другие.
ChemistrySelect,
Год журнала:
2024,
Номер
9(44)
Опубликована: Ноя. 1, 2024
Abstract
There
is
a
notable
shift
toward
organic
functional
materials
for
their
advantages
in
terms
of
availability,
processability
and
biodegradability.
Solid‐state
emitters,
though
rare,
are
fascinating
with
diverse
range
applications.
In
this
work
we
utilize
crystal
engineering
principles
to
design
Schiff
bases
1
2
,
realize
solid
state
emission
its
tuning.
The
products
have
been
characterized
studied
through
crystallographic,
Hirshfeld,
optical
studies.
Structural
studies
validate
crystallization
molecule
methanol
water,
respectively,
packing
predominantly
aided
by
solvent
assisted
hydrogen
bonding,
while
the
π‐π
stacking
interactions
absent.
Crystalline
solids
emissive:
(
λ
max
474
nm,
τ
0.35
±
0.04
ns)
(481
1.80
0.07
aggregation
induced
(AIE)
active.
Mechano
thermo‐fluorochromic
responses
attributed
phase
changes
triggered
grinding
desolvation,
respectively.
nonemissive
solutions
detect
presence
Pb(II)
/Hg(II)
turn‐on,
limit
detection
(LOD)
values
0.0017–0.0022
ppb,
picric
acid
sensing
reported
AIE
luminogen
(AIEgen)
forms
LOD
0.0017
ppb
0.0034
Язык: Английский