The
host–guest inclusion strategy has become a promising
method for developing novel high-energy density materials (HEDMs).
The selection of functional guest molecules was a strategic project,
as it can not only enhance the detonation performance of host explosives
but can also modify some of their suboptimal performances. Here, to
improve the propulsion and combustion performances of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane
(HNIW), a novel energetic-energetic host–guest inclusion explosive
was obtained by incorporating energetic rocket fuel, hydroxylamine
(HA), into the lattice cavities of HNIW. Based on their perfect space
matching, the crystallographic density of HNIW-HA was determined to
be 2.00 g/cm3 at 296 K, which has reached the gold standard
regarding the density of HEDMs. HNIW-HA also showed higher thermal
stability (T
d = 245.9 °C) and safety
(H
50 = 16.8 cm) and superior detonation
velocity (D
V = 9674 m/s) than the ε-HNIW.
Additionally, because of the excellent combustion performance of HA,
HNIW-HA possessed higher propulsion performances, including combustion
speed (S
C = 39.5 mg/s), combustion heat
(Q
C = 8661 J/g), and specific impulse
(I
sp = 276.4 s), than ε-HNIW. Thus,
the host–guest inclusion strategy has potential to surpass
the limitations of energy density and suboptimal performances of single
explosives and become a strategy for developing multipurpose intermolecular
explosives.