Inorganic Chemistry,
Journal Year:
2019,
Volume and Issue:
58(12), P. 7653 - 7656
Published: June 4, 2019
1,5-Diaminotetrazolecopper(I)
nitrate
([Cu(DAT)3]NO3,
CDN)
was
synthesized,
and
its
structure
confirmed
by
single-crystal
X-ray
diffraction.
Owing
to
layered
planar
weak
π
interactions
between
layers,
CDN
has
a
high-impact
sensitivity
of
1.5
J
relatively
low-friction
84
N.
First-principles
calculations
confirm
that
the
makes
slide
easily
without
formation
hot
spots,
cannot
resist
deformation
toward
impact
(Young
modulus,
10.13
GPa).
In
addition,
experimental
detonation
velocity
measured
be
7600
m
s-1.
All
these
properties
indicate
is
competitive
candidate
for
high-performance
primary
explosive
safe
handling,
suitably
sensitive
initiation,
powerful
enough
detonate
secondary
explosives.
Crystal Growth & Design,
Journal Year:
2018,
Volume and Issue:
18(10), P. 5713 - 5726
Published: Sept. 6, 2018
Energy
and
safety
are
the
two
most
important
concerns
of
energetic
materials
(EMs),
while
they
usually
contradict
each
other:
high
energy
typically
goes
together
with
low
safety.
Low
sensitivity
highly
(LSHEMs)
balance
well
thus
desired
for
extensive
applications.
Nevertheless,
on
whole,
energy–safety
contradiction,
component
limits,
insufficient
knowledge
about
relationships
among
components,
structures,
properties
performances
EMs
have
made
development
LSHEMs,
or
even
entire
group
EMs,
evolve
slowly.
This
Perspective
focuses
upon
current
progress
in
clarifications
contradiction
crystal
packing–impact
relationship
EMs.
Also,
we
propose
strategies
creating
new
LSHEMs
desensitized
through
engineering,
covering
traditional
composed
neutral
single-component
molecules,
cocrystals,
ionic
salts.
Two
levels
intrinsic
molecule
crystal,
accounted
constructing
LSHEMs:
at
molecular
level,
it
is
proposed
to
store
much
chemical
bonds
avoiding
any
bond
formation
an
that
too
weak
intrinsically
safety;
level
suggested
intermolecular
interactions
be
enhanced
increase
packing
compactness
density
strengthen
anisotropy
facilitate
ready
shear
slide
mechanical
sensitivity;
overall,
a
big
π-bonded
oxygen
close
zero
hydrogen
bond-aided
face-to-face
π–π
stacking
preferred
as
LSHEM.
Hopefully,
this
will
set
root
establishing
systematic
theory
LSHEMs.
Crystal Growth & Design,
Journal Year:
2019,
Volume and Issue:
19(10), P. 5981 - 5997
Published: Sept. 9, 2019
Hydrogen
bonding
(HB)
universally
exists
in
CHON-containing
energetic
materials
(EMs)
and
significantly
influences
their
structures,
properties,
performances.
As
time
proceeds,
some
new
types
of
EMs
such
as
cocrystals
(ECCs)
ionic
salts
(EISs)
are
thriving
currently
richening
insight
into
the
HB
EMs,
these
reviewed
this
article
well.
The
intramolecular
mostly
stable
molecules
while
seldom
less
molecules;
weak
abundant
HBs
dominate
intermolecular
interactions
consolidate
crystal
packing.
For
ECCs
with
neutral
heterogeneous
molecules,
serve
one
strategies
for
design.
In
comparison,
EISs
greatly
strengthened
polarity
increases
ionization.
A
strong
usually
enhances
molecular
stability
large
π-bonds
packing
coefficients
facilitates
reversible
H
transfer,
which
is
advantageous
low
mechanical
sensitivity.
HB-aided
π–π
stacking
that
favors
sensitivity
observed
all
three
kinds
including
traditional
homogeneous
EISs.
However,
a
an
EM
causes
ready
thereby
worsening
thermal
stability.
Thus,
influence
on
can
go
both
ways,
there
should
be
balance
when
HB-containing
designed.
Crystal Growth & Design,
Journal Year:
2020,
Volume and Issue:
20(5), P. 2824 - 2841
Published: April 15, 2020
π–π
stacking,
usually
together
with
the
aid
of
hydrogen
bonding
(HB),
serves
as
a
main
characteristic
low
impact,
sensitive,
highly
energetic
materials
(LSHEMs),
which
are
desired
for
application,
and
attracts
considerable
attention
in
designing
synthesizing
new
EMs.
This
Perspective
highlights
progress
insights
into
stacking
EMs,
covering
traditional
crystals
homogeneous
neutral
molecules,
cocrystals
(ECCs),
ionic
salts
(EISs).
A
rather
large
π-bond
is
requisite
can
be
classified
four
patterns,
including
face-to-face
wavelike
crossing
mixing
an
increasing
difficulty
shear
sliding,
HB
plays
important
role
supporting
sliding
layers.
Straightforwardly,
pattern–impact
sensitivity
relationship
rooted
steric
hindrance
when
preferred
to
design
LSHEMs
at
crystal
level,
due
least
or
lowest
barrier
among
patterns.
has
been
extensively
observed
ECCs,
EISs,
enlightening
us
make
rule
EMs
such
stacking.
However,
it
still
difficult
rule,
attributed
unclear
between
molecular
structures.
Maybe,
will
become
increasingly
feasible
achieve
by
establishing
database
detailed
information
on
molecules
related
amount
data
collecting
experimental
predicted
results,
combining
advanced
machine
learning
technologies.
Combining
this
article
recent
review
(Cryst.
Growth
Des.
2019,
19
(10),
5981–5997),
overall
perspective
intermolecular
interactions
C,
H,
O,
N
atoms
could
have
presented.
Journal of Materials Chemistry A,
Journal Year:
2019,
Volume and Issue:
7(33), P. 19248 - 19257
Published: Jan. 1, 2019
A
versatile
host–guest
driven
explosive-oxidant
inclusion
strategy
was
proposed
to
develop
advanced
high-energy-density
materials
(HEDMs)
with
high
detonation
performances,
low
mechanical
sensitivities
and
excellent
combustion
properties.
Crystal Growth & Design,
Journal Year:
2020,
Volume and Issue:
20(10), P. 7065 - 7079
Published: Aug. 26, 2020
Energetic
cocrystallization
is
thriving
now
and
presents
a
promising
perspective
to
create
new
energetic
materials
(EMs).
In
comparison
with
the
single-component
EMs,
creation
of
cocrystals
exhibits
greater
significance
crystal
engineering,
whose
central
scientific
issue
intermolecular
interaction.
This
article
reviews
current
progress
in
studying
interactions
molecular
(EMCCs),
as
well
stacking
thermodynamics
for
EMCC
formation.
The
include
hydrogen
bonding
(HB),
π
interactions,
halogen
bonding.
strength
these
found
be
generally
weak,
similar
that
crystals.
By
means
cocrystallization,
can
improved
prone
layered
stacking,
facilitating
low
impact
sensitivity.
could
feasible
alleviating
energy–safety
contradiction
EMs.
driving
force
formation
thought
increase
entropy,
because
EMCCs
are
nature
products
an
randomness,
small
variation
original
pure
components.
Finally,
dependence
properties
on
compositions
structures
components
proposed
attract
increasing
attention,
it
base
creating
EMs
tunable
compositions,
structures,
by
way
engineering.
Crystal Growth & Design,
Journal Year:
2021,
Volume and Issue:
21(12), P. 6619 - 6634
Published: Nov. 9, 2021
Understanding
intermolecular
interactions
is
fundamental
to
understanding
the
molecular
stacking
structures
and
some
properties
of
energetic
crystals,
such
as
density,
energy,
mechanics,
sensitivity.
The
Hirshfeld
surface
method
a
straightforward
tool
reveal
nowadays
has
become
increasingly
popular
in
field
materials.
This
article
highlights
wide
range
applications
this
describing
including
hydrogen
bonding,
π-stacking,
halogen
lone
pair−π
(n−π)
stacking,
patterns,
predicting
shear
sliding
characteristic
further
impact
Meanwhile,
roughness
quantitative
description
interaction
strength
method,
main
shortcoming,
pointed
out
herein.
Thus,
work
expected
guide
right
full
use
method.
Besides,
we
present
perspective
about
using
rapidly
screen
mode
sensitivity;
thus,
fast
screening
two
most
important
can
be
implemented,
combination
with
existing
mature
energy
prediction
methods
based
on
components.
Thereby,
more
reliable
procedure
an
additional
consideration
pattern
will
produced,
setting
basis
for
data-driven
crystal
engineering
research
Defence Technology,
Journal Year:
2021,
Volume and Issue:
17(6), P. 1995 - 2010
Published: Feb. 9, 2021
Heterocyclic
skeleton
(Azoles)
and
different
energetic
groups
containing
high
performing
explosives
are
highly
emerged
in
recent
years
to
meet
the
challenging
requirements
of
materials
both
military
civilian
applications
with
improved
performance.
For
this
purpose
tetrazole
(Azole)
is
identified
as
an
attractive
heterocyclic
backbone
functional
nitro
(-NO2),
nitrato
(-ONO2),
nitrimino
(-NNO2),
nitramino
(–NH–NO2)
replace
traditionally
used
explosives.
The
based
compounds
having
these
demonstrated
advanced
performance
(detonation
velocity
pressure),
densities,
heat
formation
(HOF)
became
a
potential
replacement
traditional
such
RDX.
This
review
presents
summary
recently
reported
nitro-tetrazole
poly-nitro,
di/mono-nitro,
nitrato/nitramino/nitrimino,
bridged/bis/di
groups,
describing
their
preparation
methods,
advance
properties,
further
high-performing
explosives,
especially
those
last
decade.
aims
provide
fresh
concept
for
designing
together
major
challenges
perspectives.
