| Octaazacubane | |
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Other names
Octaazapentacyclo[4.2.0.02,5.03,8.04,7]octane; Cubaazane; Nitrogen octaatomic molecule |
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| Identifiers | |
| CAS number | 78998-15-9 |
| Jmol-3D images | Image 1 |
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| Properties | |
| Molecular formula | N8 |
| Molar mass | 112.05 g mol−1 |
| Density | 2.69 g/cm3 (predicted)[1] |
| (verify) (what is: /?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) |
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| Infobox references | |
Octaazacubane is a hypothetical allotrope of nitrogen, whose molecules have eight atoms arranged into a cube. (By comparison, nitrogen usually occurs as the diatomic molecule N2.) It can be regarded as a derivative of cubane, where all eight carbon atoms (and their corresponding hydrogen atoms) have been replaced with a nitrogen atom.[2] 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 single bonds, the molecule remains kinetically stable for reasons of orbital symmetry.[3]
Octaazacubane is predicted to have an energy density (assuming decomposition into N2) of 22.9 MJ / kg,[4] which is over 5 times the standard value of TNT. It has therefore been proposed (along with other exotic nitrogen allotropes) as an explosive, and as a component of high performance rocket fuel.[5] Its velocity of detonation is predicted to be 15,000 m/s, much (50%) more than any known nonnuclear explosive.[6]