The
construction
of
heat-resistant
fused
heterocyclic
compounds
are
increasingly
fascinating
in
the
field
energetic
materials
not
only
because
it
usually
behaves
high
density
but
also
shows
excellent
energy,
thermal
stability
and
low
sensitivity.
In
present
study,
a
novel
imidazo[1,2-b]pyridazine
ring-based
explosive,
3,7-dinitroimidazo[1,2-b]pyridazine-6,8-diamine
(4)
was
synthesized
by
three-step
facile
method.
Compound
4
has
(1.856
g•cm-3)
sensitivity
(IS
=40
J,
FS
=
350
N).
Meanwhile,
good
decomposition
temperature
324°C,
which
is
superior
to
conventional
heat
resistant
explosive
HNS
(Td
318°C).
addition,
detonation
performance
compound
(D=8336
m•s-1,
P=27.25
GPa)
significantly
better
than
both
TNT
(D=6881
P=19.5
(D=7612
P=24.3GPa).
Theoretical
analysis
that
effect
“NH2-NO2-NH2”
intramolecular
hydrogen
bonding
interaction
may
be
main
reason
for
causing
heat-resistance
imidazolopyridazine
materials.
results
suggest
promising
building
block
candidate
Energetic Materials Frontiers,
Год журнала:
2023,
Номер
4(3), С. 194 - 201
Опубликована: Сен. 1, 2023
A
simple,
mild
and
efficient
method
was
proposed
to
construct
fused
tricyclic
skeletons
based
on
Mannich
reaction.
This
work
not
only
develops
a
new
the
effectively,
but
also
provides
insight
into
containing
flexible
ring,
which
will
greatly
contribute
research
development
of
energetic
compounds.
The
relationship
structure-activity
studied
by
weak
interactions
calculation,
single
crystal
structures
analysis,
electrostatic
potentials
calculation.
experimental
theoretical
investigations
suggest
that
skeleton
ring
possesses
better
thermal
stability
can
be
derivatized
more
easily
compared
with
similar
aromatic
skeleton.
Besides,
derivates
possess
good
comprehensive
properties:
2
(D
=
7726
m
s−1,
p
22.7
GPa)
4
8151
26.3
GPa).
All
these
results
is
an
ideal
candidate
Organic Letters,
Год журнала:
2023,
Номер
25(7), С. 1061 - 1065
Опубликована: Фев. 13, 2023
A
selective
oxidative
coupling
reaction
of
a
diamine
containing
both
C-
and
N-NH2
was
achieved
using
acidic
potassium
permanganate
as
the
reagent.
The
conditions
were
optimized,
selectivity
illustrated
by
quantum
calculations.
Furthermore,
azo-coupled
product
derivatized
to
four
nitroamine
energetic
materials
with
excellent
detonation
performances.
RSC Advances,
Год журнала:
2024,
Номер
14(33), С. 23672 - 23682
Опубликована: Янв. 1, 2024
Finding
novel
energetic
materials
with
good
comprehensive
performance
has
always
been
challenging
because
of
the
low
efficiency
in
conventional
trial
and
error
experimental
procedure.
In
this
paper,
we
established
a
deep
learning
model
high
prediction
accuracy
using
embedded
features
Directed
Message
Passing
Neural
Networks.
The
combined
high-throughput
screening
was
shown
to
facilitate
rapid
discovery
fused
[5,5]
biheterocyclic
energy
excellent
thermal
stability.
Density
Functional
Theory
(DFT)
calculations
proved
that
performances
targeting
molecules
are
consistent
predicted
results
from
model.
Furthermore,
6,7-trinitro-3H-pyrrolo[1,2-b][1,2,4]triazo-5-amine
both
detonation
properties
stability
screened
out,
whose
crystal
structure
intermolecular
interactions
were
also
analyzed.
Journal of Physics Conference Series,
Год журнала:
2024,
Номер
2891(2), С. 022020 - 022020
Опубликована: Дек. 1, 2024
Abstract
The
technology
of
micro-pyrotechnic
reagent
charging
is
crucial
for
the
controlled
delivery
and
performance
pyrotechnic
compositions
used
in
applications
ranging
from
signalling
illumination
to
propulsion
explosives.
This
review
provides
a
comprehensive
overview
recent
advancements
charging,
focusing
on
techniques
loading
compositions,
integration
methods,
optimization,
safety
enhancements.
discussion
includes
both
traditional
innovative
approaches,
highlighting
emerging
trends
future
research
directions.
