All atoms, molecules and crystals vibrate. The C60
molecule has 60 atoms that can each move in three dimensions.
This gives 180 co-ordinates, or degrees
of freedom as they are known. Rather than considering
these co-ordinates separately, it is more usual to write the displacements
in terms of normal modes. Three
combinations of co-ordinates are translations, in which the whole
molecule moves in a given direction without changing its shape.
Three are rotations, in which the molecule rotates about its centre
without changing shape. This leaves 174 patterns of vibration.
Normal modes can be labelled according to how
they transform in group theory. The easiest modes to visualise
are the symmetric a modes. For the C60 molecule,
these are a breathing mode and a 'pentagonal pinch' mode shown
below.
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The
breathing mode of
vibration of an icosahedron, in which the whole molecule
gets larger and then smaller.
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The
'pentagonal pinch' mode
of vibration of an icosahedron, in which the pentagonal
faces get larger and then smaller (with the overall size
of the molecule staying the same)
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However, the remaining modes are much more complicated, with
mixtures of radial and transverse motion. Nevertheless, we can
draw pictures of all 174 normal modes. It is possible to draw
just representations of the atoms and the bonds joining them.
However, seeing through the molecule can be distracting. Therefore
we have two alternatives showing all of the modes with fixed orientations.
The results are also organised in two different ways. Click on
the link below for the results:
An alternative visualisation made by 4th year MSci project students
Anthony Wood and Arani Navaneethakrishnan is available here.
To explore the modes further, it is useful to be able to rotate
the images and change various parameters. We have produced an
interactive demonstration to do this. You should be able to see
it below if you have the free cdf player installed, which is downloadable
from http://www.wolfram.com/products/player/.
The demonstration shows 88 of the 174 normal modes. The remaining
normal modes can be produced by rotating those modes labelled
x or yx about particular 2-fold axes of an icosahedron
(mid-way along the common side joining two hexagons).
The work described here has been published in the Journal of
Chemical Education (electronically in June 2010 and in the printed
copy in August 2010):
A
Pictorial Visualization of Normal Mode Vibrations of the Fullerene
(C60) Molecule in Terms of Vibrations of a Hollow Sphere,
J. Chem. Educ.87, 819822 (2010)
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