Physical Chemistry Chemical Physics,
Год журнала:
2023,
Номер
25(30), С. 20168 - 20172
Опубликована: Янв. 1, 2023
Selective
regulation
of
stability
and
density
via
isomerism
is
a
promising
strategy
for
developing
energetic
materials.
In
this
work,
we
selectively
introduced
dinitromethyl
groups
at
different
positions
4-nitro-1,2,3-triazole.
The
regional
heterogeneity
endows
high
crystal
by
virtue
the
dense
packing;
on
other
hand,
it
changes
charge
distribution
in
molecule,
reinforces
hydrogen
bonding
interactions,
all
which
stabilize
material.
resulting
compounds
exhibit
excellent
detonation
properties
impact
sensitivity
that
are
comparable
to
those
HMX
(Dv
=
9250
m
s-1
IS
10
J).
Dalton Transactions,
Год журнала:
2023,
Номер
52(16), С. 5226 - 5233
Опубликована: Янв. 1, 2023
Compared
to
the
widely
concerned
azo
bridges
(-NN-),
triazene
(-NN-NH-)
with
longer
nitrogen
chains
are
also
favorable
linking
units
leading
novel
energetic
materials.
In
this
work,
a
new
family
of
nitrogen-rich
nitrotriazolate-based
compounds
bridge
were
synthesized
and
well
characterized.
The
experimental
results
indicated
that
most
these
have
good
thermal
stabilities
low
sensitivities.
Among
these,
ammonium
5,5'-dinitro-3,3'-triazene-1,2,4-triazolate
(3)
potassium
5-nitro-3,3'-triazene-1,2,4-triazolate
(7)
decomposed
at
relatively
high
temperature
(240.6
°C
for
3
286.9
7).
impact
sensitivities
obtained
ranged
from
15
J
45
J.
They
positive
heats
formation
between
667.5
817.3
kJ
mol-1.
calculated
detonation
pressures
(P)
located
23.7
34.8
GPa,
velocities
(D)
8011
9044
m
s-1.
Interestingly,
(8)
hydroxylammonium
5-nitro-3,3'-triazene-1,2,4-triazole
(10)
possessed
excellent
laser-ignited
combustion
performance.
CrystEngComm,
Год журнала:
2021,
Номер
23(35), С. 6023 - 6038
Опубликована: Янв. 1, 2021
A
molecular
crystal
structure
prediction
workflow,
based
on
the
random
generator,
Genarris,
and
genetic
algorithm
(GA),
GAtor,
is
successfully
applied
to
two
energetic
materials
a
chiral
arene.
Crystal Growth & Design,
Год журнала:
2024,
Номер
24(15), С. 6292 - 6299
Опубликована: Июль 25, 2024
Ideal
energetic
materials
require
high
densities,
favorable
thermal
stability,
high-energetic
characteristics,
low
sensitivity
to
impact
and
friction,
safe
environmental
compatibility.
Moreover,
in
view
of
the
need
for
large-scale
production,
synthesis
routes
must
be
as
short
possible.
In
this
study,
novel
low-sensitivity
compounds
5,5′-(diazene-1,2-diyl)bis(3-(1H-tetrazol-5-yl)-1H-pyrazole-4-carbonitrile)
(4),
1,2-bis(3-carboxy-4-nitro-1H-pyrazol-5-yl)diazene-1-oxide
(5),
5,5′-(diazene-1,2-diyl)bis(3-(1H-tetrazol-5-yl)-1H-pyrazole-4-carboxylic
acid)
(6)
were
simply
efficiently
synthesized
by
cycloaddition
nitration
reactions.
For
sake
exploring
their
potential
materials,
elemental
analysis,
multinuclear
NMR
spectroscopy,
infrared
single-crystal
X-ray
diffraction
applied
investigate
properties
such
compounds.
The
calculated
detonation
4−6
(7480−8190
m·s−1)
are
superior
that
traditional
explosive
TNT
(6881
m·s−1).
addition,
have
higher
decomposition
temperatures
(Td
=
212−260
°C)
than
RDX
204
°C).
Meanwhile,
5
6
also
lower
mechanical
sensitivities
(IS
40
J,
FS
>
360
N)
7.5
120
N).
results
showed
azo
pyrazole
carboxylic
acid
derivatives
could
used
materials.
Dalton Transactions,
Год журнала:
2022,
Номер
51(37), С. 14088 - 14096
Опубликована: Янв. 1, 2022
Nitrogen-oxygen
organic
materials
constitute
an
important
family
of
multipurpose
high-energy
materials.
However,
the
preparation
energetic
boosters
and
oxidizers
for
various
civil
space
technologies
remains
a
challenging
task
such
usually
require
special
precautions
fine
tunability
their
functional
properties.
To
find
balance
between
energy
safety
while
retaining
oxidizing
ability
target
materials,
novel
hybrid
compounds
comprising
furoxan
3,3-dinitroazetidine
scaffolds
enriched
with
additional
nitro
groups
were
synthesized.
The
prepared
3-(3,3-dinitroazetidinoyl)-4-nitrofuroxan
3,3-dinitro-1-(2,2,2-trinitroethyl)azetidine
have
high
nitrogen-oxygen
contents
(75-79%),
positive
oxygen
to
CO
(up
+10.3%)
good
experimental
densities
(1.75-1.80
g
cm-3).
A
combination
superior
detonation
performance
(D
=
8.3-8.5
km
s-1
P
32-33
GPa)
moderate
mechanical
sensitivity
enables
application
potential
these
as
booster
explosives
or
oxidizers.
Additionally,
properties
remain
essentially
competitive
other
oxygen-rich
(pentaerythritol
tetranitrate,
ammonium
dinitramide,
tetranitratoethane).
Hirshfeld
surface
calculations
supported
by
framework
plots
also
performed
better
understand
relationship
molecular
structure
stability/sensitivity.
This
work
unveils
directions
in
construction
balanced
applications.
Energetic Materials Frontiers,
Год журнала:
2022,
Номер
4(1), С. 1 - 9
Опубликована: Окт. 19, 2022
Novel
energetic
furazans
3a–3c
and
4a–4c
containing
isomeric
(3,4-dinitro-1H-pyrazol-1-yl)-NNO-azoxy
(3,5-dinitro-1H-pyrazol-1-yl)-NNO-azoxy
moieties
have
been
obtained.
A
synthetic
approach
to
aminofurazans
3a
4a
involves
the
reaction
of
1-amino-3,4-dinitro-1H-pyrazole
or
1-amino-3,5-dinitro-1H-pyrazole
with
2,2,2-trifluoro-N-(4-nitrosofurazan-3-yl)acetamide
dibromoisocyanuric
acid,
followed
by
removal
trifluoroacetyl
group.
Transformations
amino
group
in
gave
corresponding
nitro
(3b,
4b)
azo
(3c,
4c)
substituted
furazans.
The
compounds
synthesized
exhibit
high
experimental
enthalpies
formation
(2093–2847
kJ·kg−1),
good
thermal
stabilities
(onset
decomposition
temperatures
203–228
°C),
acceptable
densities
(1.78–1.87
g·cm−3)
detonation
parameters
(detonation
velocities
D
=
8.71–8.99
km
s−1,
pressures
p
33.9–38.7
GPa).
Nitro
3b,
4b
3c,
4c
evaluated
as
effective
fillers
for
solid
composite
propellants,
providing
specific
impulse
values
9–11
s
higher
than
similar
formulations
based
on
RDX
HMX,
4–6
CL-20.
