Crystal Growth & Design,
Год журнала:
2023,
Номер
23(9), С. 6756 - 6764
Опубликована: Июль 27, 2023
A
series
of
novel
energetic
materials
(EMs)
based
on
a
single
triazole–tetrazole
material,
(Z)-N-(5-nitro-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-ylidene)nitramide
(HNANTT)
with
tremendous
physicochemical
(d
=
1.833
g
cm–3
and
ΔHf
715.8
kJ
mol–1)
properties
(Dv
9209
m
s–1
P
36.38
GPa),
were
obtained.
Detailed
crystal
structures
HNANTT
NANTT-5,
7,
8,
9,
11,
13
determined
by
single-crystal
X-ray
diffraction.
Based
HNANTT,
three
kinds
coordination
polymers
(ECPs)
(NANTT-5,
8),
four
salts
(NANTT-9,
10,
12),
one
cocrystal
(NANTT-13)
prepared
characterized
to
develop
EMs
different
advantages.
By
modifying
all
NANTT
derivatives
(except
NANTT-10)
showed
good
mechanical
sensitivity
(IS
>
40
J,
FS
360
N),
NANTT-ECP-8
achieving
the
highest
density
(2.729
cm–3)
thermal
stability
(287
°C),
NANTT-12
has
detonation
performances
9225
30.87
GPa)
among
materials,
while
co-crystal
exhibited
best
comprehensive
performance,
superior
9035
30.12
higher
(236
N
+
O
content
83.2%.
Energetic Materials Frontiers,
Год журнала:
2021,
Номер
2(1), С. 3 - 13
Опубликована: Янв. 14, 2021
In
recent
years,
the
development
of
novel
advanced
high-energy
density
materials
has
significantly
shifted
toward
nitrogen-containing
heterocyclic
derivatives,
which
demonstrate
a
great
potential
for
multipurpose
application
patterns.
Among
known
heterocycles
hydroxytetrazole
is
special
importance
due
to
its
high
nitrogen-oxygen
content
and
possibility
serve
as
anion
counterpart
form
diverse
array
organic
inorganic
energetic
salts.
this
review,
we
summarized
main
achievements
on
synthesis
performance
hydroxytetrazole-based
materials.
Potential
applications
presented
compounds
their
environmental
compatibility
are
especially
emphasized.
Crystal Growth & Design,
Год журнала:
2024,
Номер
24(17), С. 7361 - 7388
Опубликована: Авг. 19, 2024
In
2011,
cocrystallization
of
energetic
materials
became
a
hot
topic
and
pathway
to
overcome
the
energy−safety
contradiction;
especially
for
commercially
attractive
nitramines,
it
first
preference
researchers.
The
present
review
focuses
on
energetic−energetic
four
CL20,
HMX,
BCHMX,
RDX,
structural
aspects
these
cocrystals,
their
influence
thermochemical
detonation
properties.
Cocrystallization
has
proven
be
crystal
engineering
technique
achieve
safety
morphological
suitability
cocrystals
(EECCs).
Overall,
in
most
cases,
impact
sensitivities
EECCs
are
decreased,
this
is
phenomenal
change;
however,
needed
adjust
with
properties
slightly,
negligible
if
coformer
(EMs)
properly
chosen.
There
other
notable
variations
morphologies
packing
crystals,
including
key
such
as
relatively
high
density
melting
point.
These
changes
occur
due
binding
energy,
trigger
bond
length,
cohesive
energy
during
cocrystallization.
Researchers
highly
focused
nitramines;
earlier
reported
methods
lacking
selectivity
scalability.
When
comes
adoption
industrial
scale
production
EECCs,
more
difficult.
We
conducted
thorough
literature
survey.
Also
we
discussed
about
recently
developed
VPSZ
coagglomeration
method,
which
provides
huge
opportunity
tune
performance
existing
easy
up
level.
Crystal Growth & Design,
Год журнала:
2022,
Номер
22(10), С. 5802 - 5813
Опубликована: Июль 6, 2022
To
improve
the
combustion
performance
of
ammonium
perchlorate
(AP),
more
high-performance
catalysts
need
to
be
developed.
In
this
paper,
five
new
types
energetic
coordination
complexes
were
prepared
by
combining
3-aminofurazan-4-carboxylic
acid
(AFCA)
with
transition
metals
(Co,
Ni,
Fe,
Cu,
and
Mn).
The
structures
determined
single-crystal
X-ray
diffraction.
Differential
scanning
calorimetry
thermogravimetric
analysis
performed
characterize
thermal
stability
complexes.
exhibit
superior
energy
properties
traditional
explosive
TNT.
was
improved
a
certain
extent
after
binding
metal.
Catalytic
experiments
adding
10
wt
%
AP
differential
instruments.
Results
indicate
that
best
catalyst
is
manganese
as
metal
center,
which
decreases
high-temperature
decomposition
(HTD)
peak
133.3
°C
activation
(E)
102.2
kJ/mol
increases
mixture
heat
release
than
four
times.
Thermogravimetric
analysis-Fourier
transform
infrared
spectroscopy
applied
monitor
process
catalyzing
AP,
indicates
HTD
advanced
substantially.
experimental
results
show
complex
4
5
can
burn
vigorously.
Overall,
furazan-based
we
synthesized
have
good
catalytic
potential
for
solid
propellant.
Langmuir,
Год журнала:
2021,
Номер
37(23), С. 7118 - 7126
Опубликована: Июнь 3, 2021
π-Stacking
is
common
in
materials,
but
different
π–π
stacking
modes
remarkably
affect
the
properties
and
performances
of
materials.
In
particular,
weak
interactions,
π-stacking
hydrogen
bonding,
often
have
a
great
impact
on
stability
sensitivity
high-energetic
compounds.
Therefore,
several
energetic
materials
based
1,1′-dihydroxyazotetrazole
(1)
with
nearly
flat
structure,
such
as
salts
aminoguanidine
(2),
1,3-diaminoguanidine
(3),
imidazole
(4),
pyrazole
(5)
triaminoguanidine
(6),
cocrystal
2-methylimidazole
(7),
were
designed
synthesized.
Based
single-crystal
diffraction
data,
thermal
decomposition
behaviors,
mechanical
test,
compounds
4,
5,
7
face-to-face
display
outstanding
insensitivity.
Crystal Growth & Design,
Год журнала:
2023,
Номер
23(4), С. 2218 - 2230
Опубликована: Фев. 27, 2023
A
new
family
of
3d-4f
polynuclear
cocrystals
[LnZn2L2(CH3CO2)4]·[Zn2Cl4L]·H2O
[where
LnIII
=
Gd(1),
Tb(2),
and
Dy(3)]
are
synthesized
by
the
sequential
reaction
a
tetradentate
multisite
coordinating
compartmental
ligand,
i.e.,
(E)-2-methoxy-6-(((pyridine-2-ylmethyl)imino)methyl)phenol,
in
presence
LnCl3·6H2O
Zn(OAc)2·2H2O.
The
detailed
studies
involve
mainly
synthesis,
structure,
magnetic
properties
three
isostructural
cocrystals.
X-ray
diffraction
analysis
reveals
that
complexes
1–3
crystallize
triclinic
crystal
system
with
P1̅
space
group.
dimeric
[Zn2Cl4L]−
complex
appears
as
cocrystal
vicinity
[LnZn2L2(CH3CO2)4]+
structure
to
counter
balance
overall
charge
on
primary
coordination
sphere.
Magnetic
relaxation
indicate
zero-field
out-of-phase
susceptibility
signals
observed
only
for
3
(DyIII
analogue)
which
gets
well
resolved
Hdc
0.5
kOe
field.
extracted
effective
energy
barrier
(Ueff)
pre-exponential
factor
(τ0)
is
found
be
13.53
K
1.78
×
10–6
s,
respectively.
appearance
single-ion
magnet
rationalized
CASSCF/SO-RASSI/SINGLE_ANISO
based
ab
initio
calculations.