Toward new energy-rich molecular systems: from N10 to N60

The electronic structure calculations locate the local minima for bicyclic N10 and the fullerene analog N60, both as high-energy density species. The bridging NN bond in N10 is quite remarkably strong (ΔE [N10→2N5]=93 kcal/mol), yet flexible to allow a facile rotation of one ring with respect to the other. This property could permit N10 to serve as a building block for specific clustering into the nitrogen buckminsterfullerene structure.