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Octaazacubane is a hypothetical explosive allotrope of nitrogen with formula N8, whose have eight arranged into a cube. (By comparison, nitrogen usually occurs as the diatomic molecule N2.) It can be regarded as a cubane-type cluster, where all eight corners are nitrogen atoms bonded along the edges. It is predicted to be a metastable molecule, in which despite the thermodynamic instability caused by bond strain, and the high energy of the N–N , the molecule remains kinetically stable for reasons of orbital symmetry.
A prediction for cubic gauche nitrogen energy density is 33 megajoule/kilogram, exceeding octaazacubane by 44%, though a more recent one is of 10.22 MJ/kg, making it less than half of octaazacubane.
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