Two
series
of
nitro-substituted
fused
triazole
were
prepared.
All
compounds
have
been
fully
characterized
by
IR,
elemental
analysis,
1H
and
13C
NMR
DSC.
Neutral
a1
b1
exhibit
quite
different
thermostabilities
this
trend
has
extended
to
their
energetic
salts,
which
could
be
explained
the
NBO
analysis
hydrogen
bonds
based
on
single-crystal
parameters.
The
structures
salts
a2,
a3
b3
also
confirmed
X-ray
diffraction.
NCI
Hirshfeld
surfaces
performed
further
understand
relationship
between
properties
regioisomeric
structures.
new
show
good
densities
varying
within
1.66-1.83
g
cm-3,
detonation
velocities
7688-8461
m
s-1
pressures
22.1-26.7
Gpa,
are
insensitive
friction
impact.
High
thermal
stability
(Td
=
274
°C)
combined
with
velocity
(vD
8238
s-1)
highlight
promising
application
for
salt
b2
as
a
high-energy
compound.
The Journal of Organic Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 9, 2025
Tetrazole-based
energetic
materials
have
received
extensive
attention
from
researchers
due
to
their
high
heats
of
formation
and
nitrogen
contents.
In
this
work,
a
novel
tricyclic
tetrazole
compound
linked
by
C–C
C–N
bonds
was
synthesized
for
the
first
time,
series
salts
(1–4)
were
prepared.
addition,
2,2′-bis(dinitromethyl)-2H,2′H-5,2′-5,5′-tertetrazole
(DNTBT)
assembling
dinitromethyl
with
tetrazole.
Among
them,
six
compounds
further
determined
single-crystal
X-ray
diffraction
analysis.
And
theoretical
calculations
demonstrate
that
all
exhibit
positive
heat
formation.
The
target
are
much
greater
than
those
RDX,
HMX,
CL-20.
computational
results
indicate
DNTBT
(D
=
9580
m·s–1,
P
39.2
GPa)
its
ionic
6
9038
34.4
GPa),
7
9178
35.2
8
9297
37.7
superior
detonation
performance
compared
HMX
8795
34.9
comparable
RDX
9144
GPa).
This
work
provides
guidance
future
in
developing
high-energy-density
materials.
Chemical Communications,
Год журнала:
2023,
Номер
59(65), С. 9864 - 9867
Опубликована: Янв. 1, 2023
The
design
of
heat-resistant
energetic
compounds
generally
employs
symmetry,
planarity,
and
multi-hydrogen
bonds
to
obtain
with
high
density,
good
thermal
stability,
low
sensitivity.
In
this
paper,
a
hydrazine-bridged
compound,
6,6'-(hydrazine-1,2-diyl)bis(5-nitropyrimidine-2,4-diamine)
(PHP),
was
designed
synthesized
the
strategy
multi-fused
conjugated
structure
constructed
by
hydrogen
bonds.
compound
featured
strong
conjugation
stability
(364
°C).
This
provides
basis
for
compounds.
The
creation
of
multi-component
energetic
complex
molecules,
with
functionalized
groups,
combined
synergistic
catalysis
among
catalytic
interactions
between
their
components,
offers
a
remarkable
opportunity
to
boost
the
energy
release
ammonium
perchlorate
(AP).
This
study
uses
one-pot
method
investigate
synthesis
approach
for
coordinating
anion
complexes.Furthermore,
potential
applications
this
series
complexes
as
combustion
catalysts
are
analyzed.
results
show
that
mixing
an
AP,
in
distinct
thermal
decomposition
pattern.
Specifically,
AG[Zn(DNPO)2]2H2O
(AEP-2)
and
DAG[Zn(DNPO)2]2H2O
(AEP-3)
catalyze
AP
single
exothermic
reaction.
high-temperature
increased
309.8
323.9
°C,
respectively.
Real-time
infrared
detection
revealed
H₂O,
N₂O,
NO₂,
HCl,
confirming
accelerated
period
catalyzed
decomposition.
Furthermore,
CO₂
indicates
catalyst
is
also
decomposed
during
phase.
Kinetic
analysis
process
shows
via
nucleation
pathway.
mechanism
elucidated
based
on
these
findings.
Journal of Materials Chemistry A,
Год журнала:
2024,
Номер
unknown
Опубликована: Янв. 1, 2024
The
N3-3
molecule
has
achieved
superior
overall
performance
among
N-rich
energetic
materials
(
T
d
=
302
°C
and
D
v
9341
m
s
−1
),
which
significantly
surpasses
that
of
HMX.
Crystal Growth & Design,
Год журнала:
2023,
Номер
24(1), С. 461 - 470
Опубликована: Дек. 12, 2023
In
recent
years,
energetic
metal–organic
frameworks
(EMOFs)
have
gained
significant
attention
in
the
field
of
materials
research.
this
paper,
we
synthesized
MOFs
by
reacting
1,5′-bitetrazolate-2N-oxide
with
Co(NO3)2,
Zn(NO3)2,
Cu(NO3)2,
and
AgNO3,
respectively.
The
resulting
were
characterized
using
single-crystal
X-ray
diffraction.
EMOFs
2
3
exhibited
a
1D
chain
structure,
while
EMOF
4
displayed
2D
structure
5
possessed
3D
framework
structure.
structures,
thermal
stability,
decomposition
kinetics,
properties
four
thoroughly
analyzed
study.
results
showed
that
high
density
(1.933–3.010
g
cm–3).
Among
these
EMOFs,
highest
temperature
(Td
=
182
°C).
Moreover,
superior
energy
(D
7748
m
s–1;
P
36.3
Gpa)
demonstrated
excellent
catalytic
effects
on
ammonium
perchlorate.
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%.
International Journal of Molecular Sciences,
Год журнала:
2023,
Номер
24(17), С. 13136 - 13136
Опубликована: Авг. 24, 2023
The
synthesis
of
the
new
energetic
material
4-amino-3-hydrazino-5-methyl-1,2,4-triazole,
which
shows
excellent
performance
and
reliable
safety,
has
drawn
attention
recently.
To
fully
characterize
this
material,
a
comprehensive
analysis
was
performed
using
various
techniques,
including
differential
scanning
calorimetry
(DSC),
infrared
spectroscopy
(IR),
elemental
analysis,
1H
13C
NMR
spectroscopy.
Additionally,
three
compounds,
3,
5
9,
were
further
characterized
single
X-ray
diffraction.
data
suggested
that
extensive
hydrogen
bonds
affect
molecular
structure
by
means
intermolecular
interactions.
In
order
to
evaluate
explosive
properties
these
synthesized
detonation
pressures
velocities
calculated
EXPLO5
(V6.01).
These
calculations
carried
out
utilizing
experimental
data,
density
heat
formation.
Among
explosives
tested,
compounds
7
8
exhibited
zero
oxygen
balance
demonstrated
exceptional
properties.
Compound
achieved
highest
recorded
pressure,
at
34.2
GPa,
while
compound
displayed
velocity,
8887
m
s−1.
