Octanitrocubane is a relatively new high energy density material (HEDM) that has potential use as a high explosive. However, its large scale use is prevented because of its high production cost. Our laboratory is interested in the identification and computational characterization of other C-8 octanitro compounds as targets for possible synthesis and development as high explosives. We characterized octanitrotetracyclo[4.2.0.02,5.03,8]oct-1-ene. This compound is unique with regard to other theoretical C8 octanitro compounds that we have studied in that, like octanitrocubane, it has an oxygen balance of zero. In addition to oxygen balance, several other parameters (power index, explosive velocity and detonation pressure) indicate that this compound would be at least as effective as octanitrocubane as a high explosive.

Beyond octanitrocubane: A theoretical C-8 octanitro compound having an oxygen balance of zero

245th National Meeting (2013)

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