UNUSUAL PROPERTIES OF CUBANE. Synthesized first in
1964, cubane (C8H8) is a molecule consisting of 8 carbon atoms
arranged at the corners of a cube plus single hydrogen atoms
sprouting symmetrically from each carbon (see the figure at
Physics News Graphics). The C-C-C bond angle is
therefore 90 degrees, rather than the 109.5 degrees customary in
other hydrocarbon molecules. Because of this a great deal of
strain energy is stored in the chemical bonds---150 kcal/mole or
6.5 eV per molecule. Replace all the H's with NO2 groups and
you get a terrific fuel or explosive
(with nearly twice the power of TNT). Replacing the H's with
other chemical groups results in potentially more salubrious
derivatives, some of which are currently undergoing tests in the
fight against the AIDS virus, bone marrow cancer, and
Parkinson's disease. For all its potential, however, solid cubane
is not well understood. Like other molecular solids (materials
such as C60 in which molecules rather than atoms compose the
underlying lattice), cubane exhibits a "plastic phase" (close to its
melting point) in which the molecules start to swivel about one or
more of their axes. Recently, a Chicago-NIST
collaboration has experimentally worked out the structure of this
plastic phase by sending x rays and neutrons through powdered
samples. Surprisingly, unlike most other molecular solids, the
plastic phase of cubane is not cubic. The researchers' work
includes a model of the intermolecular interactions that correctly
predicts this structure, which could speed up future applications
of this novel molecule. (T. Yildirim et al.,upcoming article in
Physical Review Letters. Contact Peter Gehring at NIST,
peter@rrdstrad.nist.gov, 301-975-3946. Journalists can obtain
copies of the article from physnews@aip.acp.org)