Octaazacubane

Octaazacubane
Names
Other names
Octaazapentacyclo[4.2.0.02,5.03,8.04,7]octane; Cubaazane; Nitrogen octaatomic molecule
Identifiers
78998-15-9 YesY
Jmol interactive 3D Image
Properties
N8
Molar mass 112.06 g·mol−1
Density 2.69 g/cm3 (predicted)[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Octaazacubane is a hypothetical allotrope of nitrogen with formula N8, 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]

Explosive and fuel

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 (48.5%) more than ONC, the fastest known nonnuclear explosive.[6]

See also

References

  1. ↑ Agrawal, Jai Prakash (2010). High Energy Materials: Propellants, Explosives and Pyrotechnics. Online: Wiley-VCH. p. 498. ISBN 978-3-527-62880-3.
  2. ↑ B. Muir. "Cubane"(See under "further topics" section.)
  3. ↑ Ujwala N. Patil, Nilesh R. Dhumal and Shridhar P. Gejji. "Theoretical studies on the molecular electron densities and electrostatic potentials in azacubanes". Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 112. p. 27-32.
  4. ↑ Mikhail N. Glukhovtsev, Haijun Jiao, and Paul von Ragué Schleyer. "Besides N2, What Is the Most Stable Molecule Composed Only of Nitrogen Atoms?". Inorganic Chemistry 35. p. 7124–7133.
  5. ↑ "Exploding the mysteries of nitrogen.". Chemistry and Industry.
  6. ↑ Agrawal, Jai Prakash (2010). High Energy Materials: Propellants, Explosives and Pyrotechnics. Online: Wiley-VCH. p. 498. ISBN 978-3-527-62880-3.
  7. ↑ Manaa, M. R. (2000). "Toward new energy-rich molecular systems: From N10 to N60". Chemical Physics Letters 331 (2–4): 262–268. doi:10.1016/S0009-2614(00)01164-7.
  8. ↑ Charkin, O. P. (2013). "Theoretical study of N20, C20, and B20 clusters "squeezed" inside icosahedral C80 and He80 cages". Russian Journal of Inorganic Chemistry 58: 46–55. doi:10.1134/S0036023613010038.
  9. ↑ Wang, L. J.; Zgierski, M. Z. (2003). "Super-high energy-rich nitrogen cluster N60". Chemical Physics Letters 376 (5–6): 698. doi:10.1016/S0009-2614(03)01058-3.
  10. ↑ https://www.llnl.gov/str/June01/Manaa.html
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