In
this
work,
a
new
series
of
monocyclic
compounds
based
on
1,2,4-oxadiazol-5(4H)-one
was
synthesized.
The
molecular
structure,
thermal
stability
and
sensitivity
to
external
stimuli
for
these
were
characterized
by
X-ray
diffraction
analysis,
NMR
(1H
13C)
spectroscopy,
IR
spectroscopy
differential
scanning
calorimetry
(DSC).
Compound
3
with
trinitromethyl
exhibits
higher
decomposition
temperature
(Td
=
143
°C)
than
that
3-(dinitromethyl)-1,2,4-oxadiazol-5-one
(A)
76
reported
in
the
literature.
addition,
compound
lower
friction
impact
sensitivities
(IS
10
J,
FS
120
N)
A
RDX
6
7.4
40
N).
Charge
distribution
Hirshfeld
surface
calculated
make
further
research
intermolecular
interaction
trinitromethyl.
difference
is
mainly
due
existence
hydrogen
bonds.
These
statistical
results
indicate
has
promising
application
prospects
as
energetic
material.
Chemistry - An Asian Journal,
Год журнала:
2024,
Номер
19(17)
Опубликована: Июнь 10, 2024
Abstract
Zwitterionic
compounds
are
an
emergent
class
of
energetic
materials
and
have
gained
synthetic
interest
many
in
the
recent
years.
Due
to
their
better
packing
efficiencies
strong
inter/intramolecular
electrostatic
interactions,
they
often
ensue
superior
properties
than
salt
analogues.
A
systematic
review
from
perspective
design,
synthesis,
physicochemical
evaluation
zwitterionic
is
presented.
Depending
on
parent
ring(s)
used
for
synthesis
type
moieties
bearing
positive
negative
charges,
different
classes
materials,
such
as
primary
explosives,
secondary
heat
resistant
oxidizers,
etc.,
may
result.
The
some
also
compared
with
analogous
salts.
This
will
encourage
readers
explore
possibility
designing
new
materials.
Organic Letters,
Год журнала:
2024,
Номер
26(22), С. 4788 - 4792
Опубликована: Май 29, 2024
gem-Dinitro
methyl
based
high-energy-density
material
5-(dinitromethylene)-4,5-dihydro-1H-1,2,4-triazole
(2)
and
its
hydroxylamine
salt
(4)
were
synthesized
for
the
first
time
in
a
single
step
characterized.
Further,
structure
of
2
was
confirmed
by
single-crystal
X-ray
diffraction
(SCXRD)
studies.
Interestengly,
both
compounds
show
excellent
density
(>
1.83
g
cm-3),
detonation
velocity
8700
m
s–1),
pressure
30
GPa)
are
insensitive
toward
mechanical
stimuli
such
as
impact
friction
sensitivity.
Considering
their
synthetic
fesibility
balanced
energetic
performance,
4
future
prospects
potential
next-generation
materials
replacenent
many
presently
used
benchmark
high
energy
RDX,
FOX-7
highly
H-FOX.
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.
Energetic Materials Frontiers,
Год журнала:
2024,
Номер
5(1), С. 8 - 16
Опубликована: Фев. 23, 2024
In
the
field
of
energetic
materials,
prime
attention
has
been
given
to
synthesis
environmentally
compatible
materials
having
an
adequate
balance
between
energy
and
stability.
For
this
purpose,
nitrogen-rich
heterocyclic
rings
have
contributed
as
pivotal
frameworks.
Nitro-functionalized
1,2,4-triazoles
profusely
used
a
constituent
for
synthesizing
high-performing
(EMs)
due
their
high
nitrogen
content,
good
thermal
stability,
modifiable
sites
via
functionalization.
Combination
with
different
scaffold
may
provide
opportunity
accessible
tailoring.
work,
in
effort
investigate
potential
3-nitrotriazoles,
its
N-acetonitrile
derivative
2
was
synthesized,
which
further
converted
various
explosophores.
N-methylene-C
bridged
asymmetrically
connected
tetrazole
(3)
1,2,4-oxadiazole
(9
10)
based
EMs
synthesized.
Further
tuning
properties
salt
formation
strategy
employed
compounds
4–7,
11
12.
1,2,4-oxadiazole-based
compound
9
also
confirmed
X-ray
diffraction
analysis,
10
analyzed
15N
NMR
spectroscopy.
Compounds
3,
4,
5,
7
exhibited
stabilities
were
found
be
insensitive
towards
impact
friction.
6,
detonation
performance
comparable
conventional
explosive
TATB.
Crystal Growth & Design,
Год журнала:
2024,
Номер
24(16), С. 6790 - 6799
Опубликована: Июль 31, 2024
The
dominance
of
nitro
pyrazole-based
explosives
in
the
recently
reported
high-performing
energetic
materials
motivated
us
to
comprehensively
investigate
energy–stability
correlation
among
different
compounds
based
on
3,5-dinitro
pyrazoles
employing
various
computational
methods.
We
also
explored
and
physicochemical
properties
overlooked
compound
3,5-dinitropyrazole-4-carboxylic
acid
(CDNP).
This
study
revealed
that
CDNP
exhibits
highest
thermal
stability
4-substituted-3,5-dinitropyrazoles,
combined
with
an
acceptable
performance.
These
characteristics
are
attributed
its
layered
packing,
strong
intermolecular
interactions,
carbonyl
bonds.
Furthermore,
dicationic
salt
formation
further
allowed
fine-tune
overall
performance
stability.
dihydroxylammonium
(5)
shows
best
performance,
comparable
well-known
traditional
explosive
TATB,
good
low
sensitivity
toward
impact
friction.
ACS Applied Materials & Interfaces,
Год журнала:
2024,
Номер
16(47), С. 64846 - 64857
Опубликована: Ноя. 12, 2024
The
field
of
high
energy
density
materials
faces
a
long-standing
challenge
to
achieve
an
optimum
balance
between
and
stability.
While
energetic
salt
formation
via
combination
oxygen-
nitrogen-rich
anions
(providing
energy)
with
nitrogen-containing
cations
stability)
has
been
proven
approach
for
improving
physical
stability,
constraints
such
as
lowering
performance
remain
unresolved.
This
can
be
addressed
by
utilizing
oxygen-containing
formation.
However,
this
is
rarely
explored
because
its
synthesis
challenging.
In
work,
we
have
designed
oxygen-rich
cationic
precursor
Energetic Materials Frontiers,
Год журнала:
2024,
Номер
5(2), С. 105 - 111
Опубликована: Май 14, 2024
Various
types
of
materials
have
been
explored
in
the
pursuit
high
energy
density
(HEDMs)
that
balanced
and
stability.
Among
them,
energetic
salts
show
numerous
advantages,
such
as
lower
vapor
pressures,
physical
stabilities,
opportunity
for
favourable
tuning
by
careful
selection
cations/anions.
Nitrogen-rich
bases
are
generally
used
cations
salt
formation.
While
synthesis
with
larger
lowers
sensitivity,
smaller
aid
better
performance.
A
combination
both
same
ionic
moieties
might
help
formation
a
superior
explosive.
In
this
work,
facile
route
mixed
dicationic
based
on
1-((1H-tetrazol-5-yl)methyl)-3,5-dinitro-1H-pyrazol-4-ol
(compound
1)
has
various
combinations
bigger
(compounds
4-10).
All
synthesized
showed
positive
heats
formation,
performance
comparable
to
TATB,
excellent
stability
towards
impact
friction,
acceptable
thermal
stabilities.
This
improved
technique
will
provide
an
additional
option
fine-tuning
properties
HEDMs
facilitate
exploring
role
overall
compounds.
Journal of Heterocyclic Chemistry,
Год журнала:
2024,
Номер
61(8), С. 1299 - 1305
Опубликована: Июнь 5, 2024
Abstract
In
an
attempt
to
cultivate
energy‐stability
balance,
a
series
of
nitrogen
and
oxygen‐rich
high
energy
density
materials
were
synthesized
based
on
N
‐substituted
4‐hydroxy‐3,5‐dinitropyrazole
methylene‐linked
‐amino‐1,2,4‐bridges.
The
hydroxy
substituent
contributed
oxygen
content,
hydrogen
bonding,
tunability
via
salt
formation.
On
the
other
hand,
triazole
bridge
delivered
content
thermal
stability.
All
compounds
characterized
with
multinuclear
NMR,
FTIR,
HRMS,
elemental
analysis,
their
physicochemical
energetic
properties
analyzed.
Energetic
1
–
5
showed
detonation
performance
adequate
overall
stabilities.
Compound
exhibited
higher
(1.84
g/cm
3
)
(
D
v
=
8103
m/s,
P
26.9
GPa)
in
comparison
its
reported
amino
derivative.
Dalton Transactions,
Год журнала:
2024,
Номер
53(42), С. 17179 - 17189
Опубликована: Янв. 1, 2024
A
family
of
new
asymmetric
N
-methylene-C
linked
nitropyrazoles
and
1,2,4-triazol-3-one
based
thermally
stable
energetic
materials
with
reduced
sensitivity
has
been
synthesized.
Background
image
via
Canva.
Organic Letters,
Год журнала:
2024,
Номер
26(45), С. 9781 - 9786
Опубликована: Ноя. 4, 2024
4-Hydroxy-3,5-dinitropyrazole
(HODNP)
was
investigated
as
a
precursor
for
synthesizing
two
thermally
stable,
insensitive
zwitterionic
energetic
materials.
The
ability
of
the
hydroxy
functionality
to
carry
negative
charge
leveraged
and
further
covalently
bonded
with
positively
charged
moieties
(3,4-diamino-1,2,4-triazole
acetimidamide)
via
N-functionalization
form
zwitterions
2
3.
Structural
characterization
study
performance
were
carried
out.
nature
compound
3
confirmed
by
single-crystal
analysis.
