Convenient Preparation, Thermal Properties and X-Ray Structure Determination of 2,3-Dihydro-5,6,7,8-tetranitro-1,4-benzodioxine (TNBD): a Promising High Energy Density Material (HEDM)
Published: April 12, 2024
Abstract:
:
2,3-dihydro-5,6,7,8-tetranitro-1,4-benzodioxine
(TNBD),
molecular
formula
=C8H4N4O10
is
a
completely
nitrated
in
aromatic
ring
1,4-benzodioxane
derivative.
The
con-venient
method
of
TNBD
synthesis
was
developed
(yield=81
%).
detailed
structure
this
compound
has
been
investigated
by
X-ray
crystallography.
results
differential
thermal
analysis
(DTA)
obtained
with
twice
re-crystallized
material
showed
onset
at
247
and
isoterm
288
0C,
further
total
degradation
300
0C.
experimental
density
1,85
g/cm3
determined
spectral
properties
(NMR,
FT-IR,
Ra-man)
were
explored.
detonation
calculated
EXPLO
5
code
slightly
superior
comparison
to
standard
high
energy
-
tetryl
(detonation
velocity
7727
m/s;
pressure
278
kbar;
–
7570
m/s
226.4
kbar
1.614
g/cm3,
or
260
higher
1.71
g/cm3.
preliminary
might
suggest
can
be
potential
thermostable
(HEDM).
Language: Английский
Convenient Preparation, Thermal Properties and X-ray Structure Determination of 2,3-Dihydro-5,6,7,8-tetranitro-1,4-benzodioxine (TNBD): A Promising High-Energy-Density Material
International Journal of Molecular Sciences,
Journal Year:
2024,
Volume and Issue:
25(10), P. 5099 - 5099
Published: May 7, 2024
2,3-dihydro-5,6,7,8-tetranitro-1,4-benzodioxine
(TNBD),
molecular
formula
=
C8H4N4O10,
is
a
completely
nitrated
aromatic
ring
1,4-benzodioxane
derivative.
The
convenient
method
of
TNBD
synthesis
was
developed
(yield
81%).
detailed
structure
this
compound
investigated
by
X-ray
crystallography.
results
the
thermal
analysis
(TG)
obtained
with
twice
re-crystallized
material
revealed
onset
at
240
°C
(partial
sublimation
started)
and
melting
286
°C.
degraded
290–329
experimental
density
1.85
g/cm3
determined
spectral
properties
(NMR,
FT-IR
Raman)
were
explored.
detonation
calculated
EXPLO
5
code
slightly
superior
in
comparison
to
standard
high-energy
material—tetryl
(detonation
velocity
TNBD—7727
m/s;
pressure—278
kbar;
tetryl—7570
m/s
226.4
kbar
1.614
g/cm3,
or
260
higher
1.71
g/cm3.
preliminary
might
suggest
can
be
potential
thermostable
-density
(HEDM).
Language: Английский