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).
ACS Applied Materials & Interfaces,
Год журнала:
2022,
Номер
14(8), С. 10594 - 10604
Опубликована: Фев. 22, 2022
The
development
of
energetic
materials
is
still
facing
a
huge
challenge
because
the
relationship
between
energy
and
sensitivity
usually
contradictory:
high
always
accompanied
with
low
sensitivity.
Here,
high-energy,
low-sensitivity
polynitro-functionalized
azopyrazole
(TNAP)
its
salts
have
been
synthesized.
structural
characterization
these
compounds
was
analyzed
by
elemental
analysis,
1H
13C
NMR
spectroscopies,
infrared
spectroscopy.
single-crystal
structure
K2TNAP,
TNAP,
5,
6
obtained
X-ray
diffraction,
K2TNAP
novel
metal-organic
framework.
calculated
detonation
properties
TNAP
(9040
m
s-1
36.0
GPa)
are
superior
to
that
RDX
(8796
33.6
GPa).
In
addition,
also
has
lower
mechanical
(IS
>
40
J,
FS
=
244
N)
higher
decomposition
temperature
(Td
221
°C)
than
7.4
120
N,
Td
204
°C).
These
experimental
results
suggest
may
become
new
candidate
for
secondary
explosives.
ACS Applied Materials & Interfaces,
Год журнала:
2023,
Номер
15(35), С. 41580 - 41589
Опубликована: Авг. 23, 2023
A
series
of
high-nitrogen
compounds,
including
a
unique
molecule
2,2'-azobis(1,5'-bitetrazole)
with
branched
N10
chain
and
1,5'-bitetrazolate-2N-oxides,
were
synthesized
successfully
based
on
C-N-linked
1,5'-bistetrazoles
using
azo
coupling
N-amine
bonds
N-oxide
introduction
strategies.
All
compounds
characterized
by
NMR
spectroscopy,
IR
elemental
analysis,
differential
scanning
calorimetry,
in
which
the
structures
five
further
determined
single-crystal
X-ray
diffraction
analysis
(2,
T-N10B,
3a,
3b,
THX).
The
nitrogen
contents
these
range
from
63.62
(THX)
to
83.43%
(T-N10B),
are
much
higher
than
that
CL-20
(38.34%).
heat
formation
for
prepared
was
calculated
Gaussian
09
program,
T-N10B
having
highest
value
5.13
kJ
g-1,
about
6
times
(0.83
g-1).
detonation
performances
EXPLO5
v6.05.04
show
THX
has
excellent
performance
(D
=
9581
m
s-1,
P
35.93
GPa)
remarkable
specific
impulse
(Isp
284.9
s).
Journal of Materials Chemistry A,
Год журнала:
2024,
Номер
12(16), С. 9546 - 9551
Опубликована: Янв. 1, 2024
This
study
highlights
for
the
first
time
impact
of
positional
isomerism
on
chemical
reactivity
which
involves
a
domino
reaction,
salt
formation,
cyclization,
and
nucleophilic
substitution.
New Journal of Chemistry,
Год журнала:
2021,
Номер
45(23), С. 10150 - 10159
Опубликована: Янв. 1, 2021
The
evergrowing
demand
for
cleaner,
high-performing
energetic
materials
(EMs)
has
led
to
a
quest
replacement
of
currently
used
toxic
metal-based
traditional
compounds
such
as
lead
azide
and
styphnate.
Journal of the American Chemical Society,
Год журнала:
2022,
Номер
144(41), С. 19089 - 19096
Опубликована: Окт. 5, 2022
Despite
their
favorable
properties,
azetidines
are
often
overlooked
as
lead
compounds
across
multiple
industries.
This
is
attributed
to
the
challenging
synthesis
of
densely
functionalized
in
an
efficient
manner.
In
this
work,
we
report
scalable
and
characterization
seven
with
varying
regio-
stereochemistry
application
novel
azetidine-based
energetic
materials,
enabled
by
visible-light-mediated
aza
Paternò-Büchi
reaction.
The
performance
stark
differences
physical
properties
these
new
make
them
excellent
potential
candidates
solid
melt-castable
explosive
well
liquid
propellant
plasticizers.
work
highlights
scalability
utility
visible-light
reaction
demonstrates
impact
stereochemical
considerations
on
energetics.
Considering
versatility
efficiency
presented
synthetic
strategies,
expect
that
will
guide
development
materials
energetics
space
other
Dalton Transactions,
Год журнала:
2023,
Номер
52(22), С. 7673 - 7683
Опубликована: Янв. 1, 2023
The
preparation
of
multipurpose
high-energy
materials
for
space
technologies
remains
a
challenging
task
and
such
usually
require
special
precautions
fine
tunability
their
functional
properties.
To
unveil
new
opportunities
en
route
to
high-performance
energetic
materials,
novel
potential
melt-castable
explosives
plasticizers
incorporating
(1,2,3-triazolyl)furazan
scaffold
enriched
with
nitro
nitratomethyl
explosophoric
functionalities
were
synthesized.
successful
implementation
the
regiodivergent
approach
enabled
regioisomeric
(nitratomethyltriazolyl)furazans
that
possessed
significantly
different
physicochemical
properties
classifying
target
as
substances
or
plasticizers.
Hirshfeld
surface
calculations
supported
by
energy
framework
plots
also
performed
better
understand
relationship
between
molecular
structure
sensitivity.
All
prepared
(1,2,3-triazolyl)furazans
show
high
nitrogen-oxygen
contents
(76-77%),
good
experimental
densities
(up
1.72
g
cm-3)
positive
enthalpies
formation
(180-318
kJ
mol-1)
resulting
in
detonation
performances
(D
=
7.1-8.0
km
s-1;
P
21-29
GPa).
Overall,
this
work
unveils
strategies
construction
balanced
various
applications.
Journal of Materials Chemistry A,
Год журнала:
2024,
Номер
12(27), С. 16729 - 16734
Опубликована: Янв. 1, 2024
This
study
focuses
on
synthesizing
high-density
isomeric
pyrazole–tetrazoles
and
their
energetic
salts,
with
a
particular
emphasis
improving
detonation
performance.
Chemistry - A European Journal,
Год журнала:
2021,
Номер
27(59), С. 14628 - 14637
Опубликована: Июль 29, 2021
A
series
of
novel
energetic
materials
comprising
azo-bridged
furoxanylazoles
enriched
with
functionalities
was
designed
and
synthesized.
These
high-energy
were
thoroughly
characterized
by
IR
multinuclear
NMR
(1
H,
13
C,
14
N)
spectroscopy,
high-resolution
mass
spectrometry,
elemental
analysis,
differential
scanning
calorimetry
(DSC).
The
molecular
structures
representative
amino
azo
oxadiazole
assemblies
additionally
confirmed
single-crystal
X-ray
diffraction
powder
diffraction.
comparison
contributions
explosophoric
moieties
into
the
density
revealed
that
furoxan
1,2,4-oxadiazole
rings
are
densest
motifs
while
substitution
azide
fragments
on
nitro
ones
leads
to
an
increase
density.
Azo
bridged
have
high
nitrogen-oxygen
contents
(68.8-76.9
%)
thermal
stability.
synthesized
compounds
exhibit
good
experimental
densities
(1.62-1.88
g
cm-3
),
very
enthalpies
formation
(846-1720
kJ
mol-1
and,
as
a
result,
excellent
detonation
performance
(detonation
velocities
7.66-9.09
km
s-1
pressures
25.0-37.7
GPa).
From
application
perspective,
parameters
exceed
those
benchmark
explosive
RDX,
combination
acceptable
friction
sensitivity
azo(1,2,4-triazolylfuroxan)
make
it
promising
potential
alternative
PETN.
