Energetic triazolo-triazolo-furazano-pyrazines: A promising fused
tetracycle building block with diversified functionalities and
In this study, high energy materials (HEMs) derived from
(TTFP) substituted with –NH2, –NHNO2, –ONO2, –NO2, and –N3
explosophoric groups were designed and computationally characterized. It
is found that the TTFP is an effective molecular backbone for improving
the energy content and energetic performance of the designed compounds.
The effect of various explosophoric groups on energy content, density,
detonation performance, and sensitivity was investigated. The energetic
evaluation indicated that TTFP derivatives having –NHNO2, –ONO2, and
–NO2, groups demonstrate good detonation performances and exceed the
performance of TNT and RDX. Considering the energetic properties, the
TTFP backbone can be regarded as an energy-rich unit, which can be
substituted with suitable explosophoric groups for constructing HEMs.