Polynitrogen isomers

Figure 1 Reported minimum energy isomers for polynitrogen species containing the pentazole ring.

Calculations of polynitrogens larger than N,2 have determined relative energetics and vibrational frequencies of possible isomers, but not activation barriers. Future work should explore the kinetic stabilities of these larger polynitrogens on their potential energy surfaces to validate their possible application as energetic materials. 

One of the most interesting candidates for a HEDM among the polynitrogen compounds is tetraazatetrahedrane [N4(7rf)]. The energy release involved in the dissociation of this N4 isomer into N2 has been estimated to more than 180 kcal/mol [16], Despite the incredibly high energy content, the... 

Polynitrogen compound N AsF was synthesized in 1999 and calculations showed that the most stable isomer has a V-shaped structure as shown. 

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