Controlling Thermal Expansion in Supramolecular Halogen‐Bonded Mixed Cocrystals through Synthetic Feed and Dynamic Motion
Angewandte Chemie International Edition,
Год журнала:
2022,
Номер
61(26)
Опубликована: Март 29, 2022
Control
over
thermal
expansion
(TE)
behaviors
in
solid
materials
is
often
accomplished
by
modifying
the
molecules
or
intermolecular
interactions
within
solid.
Here,
we
use
a
mixed
cocrystal
approach
and
incorporate
with
similar
chemical
structures,
but
distinct
functionalities.
Development
of
cocrystals
at
nascent
stage,
here
describe
first
sustained
one-dimensional
halogen
bonds.
Within
each
cocrystal,
halogen-bond
donor
fixed,
while
acceptor
site
contains
two
variable
ratio.
X-ray
diffraction
demonstrates
isostructurality
across
series,
SEM-EDS
shows
equal
distribution
heavy
atoms
atomic
compositions
all
cocrystals.
The
differ
their
ability
to
undergo
dynamic
motion
state.
synthetic
equivalents
capable
incapable
were
systematically
varied
yield
direct
tunabililty
TE
behavior.
Язык: Английский
Hydrogen-bonded self-assembly of purine with picric acid: Super heat-resistant and insensitive explosives
Qamar‐un‐Nisa Tariq,
Maher‐un‐Nisa Tariq,
Saira Manzoor
и другие.
Chemical Engineering Journal,
Год журнала:
2025,
Номер
unknown, С. 159133 - 159133
Опубликована: Янв. 1, 2025
Язык: Английский
Development and current status of electrochemical energy storage materials
Journal of Physics and Chemistry of Solids,
Год журнала:
2025,
Номер
unknown, С. 112917 - 112917
Опубликована: Июнь 1, 2025
Язык: Английский
Organic and Inorganic Biocidal Energetic Materials for Agent Defeat Weapons: An Overview and Research Perspectives
Energies,
Год журнала:
2023,
Номер
16(2), С. 675 - 675
Опубликована: Янв. 6, 2023
A
critical
survey
concerning
biocidal
energetics
is
proposed
according
to
a
classification
depending
on
their
chemical
structure.
The
need
of
optimizing
the
performances
such
compounds
an
important
target
for
inertization
biological
weapons,
requiring
synergy
between
thermal
effects
combustion/detonation
with
reaction
products
released
into
environment.
main
physicochemical
aspects
related
synthesis
technique,
thermodynamic
variables
and
antimicrobial
activity
have
been
discussed
compared.
In
particular,
different
kinds
biocides
taken
account,
particular
attention
role
iodine
as
one
most
promising
eco-friendly
species
this
purpose,
in
line
paradigms
environmental
protection
rational
utilization
chemicals.
Furthermore,
protocols
adopted
assess
effectiveness
agents
thoroughly
examined
recent
studies
by
some
reputable
research
groups
field.
Finally,
insights
future
investigations
are
proposed.
Язык: Английский
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm,
Год журнала:
2024,
Номер
unknown
Опубликована: Янв. 1, 2024
Novel
halogen-bonded
cocrystals
of
seven
oxazoles
as
multifunctional
acceptors
have
been
synthesized
with
selected
iodoperfluorinated
benzenes
and
structurally
characterized.
Язык: Английский
An AIE active imidazole conjugated α-cyanostilbene based sensor for the selective and sensitive detection of picric acid in an aqueous medium
Sensors and Actuators Reports,
Год журнала:
2023,
Номер
6, С. 100177 - 100177
Опубликована: Окт. 14, 2023
Due
to
increasing
pollution
threats,
terrorism-sensitive
rapid
sensing
of
aromatic
nitro
explosives
(picric
acid)
has
gained
predominant
significance
in
environmental
safety.
Herein,
imidazole-derived
monofunctional
fluorescent
sensor
2-(4-aminophenyl)-3-(3-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxyphenyl)
acrylonitrile
(ADHA)
was
successfully
developed
for
the
selective
recognition
explosive
picric
acid.
The
D-π-A
configuration
ADHA
facilitates
extraordinary
photophysical
properties
with
remarkable
aggregation-induced
emission
(AIE).
detection
process
is
induced
by
photon-induced
electron
transfer
(PET)
and
resonance
energy
(RET)
results
generation
ADHA+PA
complex.
structural
relationship
were
extensively
studied
DFT
(Density
Functional
Theory)
methods
spectroscopic
analysis.
It
been
calculated
that
limit
formed
complex
6.26
nM.
In
addition,
1H
NMR
titrations
calculations,
HRMS
analysis
performed
understand
mechanism
better.
Test
strip-aided
invisible
ink
applications
confirmed
a
versatile
sensitively
detecting
acid
without
sophisticated
instruments.
implemented
detect
PA
real
water
samples
recovery.
Язык: Английский
Improved stability of picric acid: 1-aminopyrene’ charge-transfer complex: Synthesis, characterization, energetic performance and molecular docking study with B-DNA
Journal of Molecular Structure,
Год журнала:
2022,
Номер
1262, С. 133058 - 133058
Опубликована: Апрель 10, 2022
Язык: Английский
3,5‐difluoro‐2,4,6‐trinitrophenol: A high‐energy compound born under the “NO2FNO2” construction strategy
Propellants Explosives Pyrotechnics,
Год журнала:
2023,
Номер
49(2)
Опубликована: Дек. 7, 2023
Abstract
3,5‐Difluoro‐2,4,6‐trinitrophenol
(DFTNP)
was
designed
as
energetic
compounds,
based
on
the
“NO
2
FNO
”
strategy.
Its
structure
fully
characterized
by
IR,
NMR,
elemental
analysis,
and
single‐crystal
X‐ray
diffraction.
Physico‐chemical
characterization
of
this
compound
investigated
several
theoretical
techniques.
The
result
indicated
that
DFTNP
is
less
sensitive
to
external
stimuli,
with
a
thermal
sensitivity
213
°C,
impact
friction
15
J
240
N.
It
also
shows
particularly
high
density
(ρ=1.949
g
cm
−3
)
detonation
performance
(D=8440
m
s
−1
,
P=32.60
GPa),
which
far
exceeds
picric
acid.
crystal
packing
intermolecular
interaction
play
an
important
role
inreducing
localized
heating.
In
addition,
has
great
potential
for
building
ionic
salts,
its
ammonium
salt
exhibits
better
performance.
Good
not
only
highlight
suitable
replacement
acid,
but
suggests
may
be
good
choice
in
designing
compounds.
Язык: Английский
Influence of halogen substituents on sensitivity towards detonation of polycyclic nitroaromatic high‐energy molecules
Journal of Physical Organic Chemistry,
Год журнала:
2024,
Номер
37(10)
Опубликована: Июль 12, 2024
Abstract
Analysis
of
molecular
electrostatic
potential
(MEP)
on
the
surface
high‐energy
molecules
is
often
used
to
predict
detonation
properties
these
compounds
since
strong
positive
values
potentials
in
central
regions
are
related
high
sensitivity
towards
detonation.
In
this
work,
we
combined
bond
dissociation
energy
(BDE)
calculations
with
analysis
MEPs
reveal
influence
halogen
substituents
sensitivities
a
series
halogen‐substituted
dinitronaphthalenes.
Obtained
results
showed
that
affect
studied
by
tilting
neighboring
NO
2
groups,
which
decreased
stability
corresponding
C–N
bonds.
addition,
atoms
modifying
surfaces.
Язык: Английский
Controlling Thermal Expansion in Supramolecular Halogen‐Bonded Mixed Cocrystals through Synthetic Feed and Dynamic Motion
Angewandte Chemie,
Год журнала:
2022,
Номер
134(26)
Опубликована: Март 29, 2022
Abstract
Control
over
thermal
expansion
(TE)
behaviors
in
solid
materials
is
often
accomplished
by
modifying
the
molecules
or
intermolecular
interactions
within
solid.
Here,
we
use
a
mixed
cocrystal
approach
and
incorporate
with
similar
chemical
structures,
but
distinct
functionalities.
Development
of
cocrystals
at
nascent
stage,
here
describe
first
sustained
one‐dimensional
halogen
bonds.
Within
each
cocrystal,
halogen‐bond
donor
fixed,
while
acceptor
site
contains
two
variable
ratio.
X‐ray
diffraction
demonstrates
isostructurality
across
series,
SEM‐EDS
shows
equal
distribution
heavy
atoms
atomic
compositions
all
cocrystals.
The
differ
their
ability
to
undergo
dynamic
motion
state.
synthetic
equivalents
capable
incapable
were
systematically
varied
yield
direct
tunabililty
TE
behavior.
Язык: Английский