Fused cyclic energetic materials, a unique class of large conjugate structures containing two or more rings that share two atoms and the bond between the rings, have been identified as a promising challenger to traditional energetic materials. Containing a coplanar polycyclic structure, fused heterocyclic ring-based energetic materials feature high heats of formation and ring-strain energy stored in the molecules and show obvious features of good energetic performance, enhanced thermal stability and low sensitivities toward destructive mechanical stimuli, which increases the safety of the synthesis, transfer, and storage of high energy density materials (HEDMs). Additionally, these compounds exemplify the rational design and discovery of new fused heterocycle-based explosive molecules via the construction of the fused ring skeleton and subsequent improvements in their energetic performance by adding energetic groups to the backbones which leads to novel energetic compounds with a combination of features that enhance performance (high density and good oxygen balance) while preserving molecular stability (hydrogen bonding, planar geometries, and π-π interactions). Thus far, the limited number of fused cyclic backbones available for the preparation of different molecules has hindered their expansion in this field. Therefore, this research area has attracted interest, and it is particularly worthwhile to study these systems in order to develop various types of new HEDMs with improved detonation properties. 

Fused heterocycle-based energetic materials

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

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