Octaazacubane
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Octaazacubane is a hypothetical
explosive An explosive (or explosive material) is a reactive substance that contains a great amount of potential energy that can produce an explosion if released suddenly, usually accompanied by the production of light, heat, sound, and pressure. An ex ...
allotrope Allotropy or allotropism () is the property of some chemical elements to exist in two or more different forms, in the same physical state, known as allotropes of the elements. Allotropes are different structural modifications of an element: the ...
of
nitrogen Nitrogen is a chemical element; it has Symbol (chemistry), symbol N and atomic number 7. Nitrogen is a Nonmetal (chemistry), nonmetal and the lightest member of pnictogen, group 15 of the periodic table, often called the Pnictogen, pnictogens. ...
with formula N8, whose
molecule A molecule is a group of two or more atoms that are held together by Force, attractive forces known as chemical bonds; depending on context, the term may or may not include ions that satisfy this criterion. In quantum physics, organic chemi ...
s have eight
atom Atoms are the basic particles of the chemical elements. An atom consists of a atomic nucleus, nucleus of protons and generally neutrons, surrounded by an electromagnetically bound swarm of electrons. The chemical elements are distinguished fr ...
s arranged into a
cube A cube or regular hexahedron is a three-dimensional space, three-dimensional solid object in geometry, which is bounded by six congruent square (geometry), square faces, a type of polyhedron. It has twelve congruent edges and eight vertices. It i ...
. (By comparison, nitrogen usually occurs as the
diatomic molecule Diatomic molecules () are molecules composed of only two atoms, of the same or different chemical elements. If a diatomic molecule consists of two atoms of the same element, such as hydrogen () or oxygen (), then it is said to be homonuclear mol ...
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 Thermodynamics is a branch of physics that deals with heat, work, and temperature, and their relation to energy, entropy, and the physical properties of matter and radiation. The behavior of these quantities is governed by the four laws of th ...
instability caused by bond strain, and the high energy of the N–N
single bond In chemistry, a single bond is a chemical bond between two atoms involving two valence electrons. That is, the atoms share one pair of electrons where the bond forms. Therefore, a single bond is a type of covalent bond. When shared, each of th ...
s, the molecule remains kinetically stable for reasons of
orbital symmetry In chemistry, molecular symmetry describes the symmetry present in molecules and the classification of these molecules according to their symmetry. Molecular symmetry is a fundamental concept in chemistry, as it can be used to predict or explai ...
.


Explosive and fuel

Octaazacubane is predicted to have an
energy density In physics, energy density is the quotient between the amount of energy stored in a given system or contained in a given region of space and the volume of the system or region considered. Often only the ''useful'' or extractable energy is measure ...
(assuming decomposition into N2) of 22.9  MJ/ kg, which is over 5 times the standard value of
TNT Troponin T (shortened TnT or TropT) is a part of the troponin complex, which are proteins integral to the contraction of skeletal and heart muscles. They are expressed in skeletal and cardiac myocytes. Troponin T binds to tropomyosin and helps ...
. It has therefore been proposed (along with other exotic nitrogen allotropes) as an
explosive An explosive (or explosive material) is a reactive substance that contains a great amount of potential energy that can produce an explosion if released suddenly, usually accompanied by the production of light, heat, sound, and pressure. An ex ...
, and as a component of high performance
rocket fuel Rocket propellant is used as reaction mass ejected from a rocket engine to produce thrust. The energy required can either come from the propellants themselves, as with a chemical rocket, or from an external source, as with ion engines. Overvi ...
. Its
velocity of detonation Explosive velocity, also known as detonation velocity or velocity of detonation (VoD), is the velocity at which the shock wave front travels through a detonation, detonated explosive. Explosive velocities are always higher than the local speed of s ...
is predicted to be 15,000 m/s, much (48.5%) more than octanitrocubane, the fastest known nonnuclear explosive. A prediction for cubic gauche nitrogen energy density is 33  MJ/ kg, exceeding octaazacubane by 44%, though a more recent one is of 10.22 MJ/kg, making it less than half of octaazacubane.


See also

* Tetranitrogen (Nitrogen allotrope with formula N4) * Hexazine (Nitrogen allotrope with formula N6) *
Pentazole Pentazole is an aromatic molecule consisting of a five-membered ring with all nitrogen atoms, one of which is bonded to a hydrogen atom. It has the molecular formula . Although strictly speaking a homocyclic, inorganic compound, pentazole has ...
* 1,1′-Azobis-1,2,3-triazole * 1-Diazidocarbamoyl-5-azidotetrazole


References


External links

*{{Commons category-inline Explosive chemicals Hypothetical chemical compounds Allotropes of nitrogen