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handbook of carbon, graphite, diamond and fullerenes

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The Fullerene Molecules 359<br />

Unlike the sp 3 or sp 2 hybridizations, the fullerene hybridization is not<br />

fixed but has variable characteristics depending on the number <strong>of</strong> <strong>carbon</strong><br />

atoms in the molecule. This number varies from twenty for the smallest<br />

geometrically (but not thermodynamically) feasible fullerene, the C 20 - to<br />

infinity for <strong>graphite</strong> (which could be considered as the extreme case <strong>of</strong> all<br />

the possible fullerene structures). It determines the size <strong>of</strong> the molecule as<br />

well as the angle 0 <strong>of</strong> the basic pyramid <strong>of</strong> the structure (the common angle<br />

to the three o-bonds). The number <strong>of</strong> <strong>carbon</strong> atoms, the pyramidization<br />

angle (0 - 90°), <strong>and</strong> the nature <strong>of</strong> the hybridization are related <strong>and</strong> this<br />

relationship (in this case the s character in the n-orbital) is given in Fig.<br />

15.3J 5 ]<br />

The bond lengths <strong>of</strong> the <strong>fullerenes</strong> are reported as 0.145 +/-0.0015 nm<br />

for the bonds between five- <strong>and</strong> six-membered rings, <strong>and</strong> 0.140 +/- 0.0015<br />

nm for the bond between the six-membered rings.! 6 )<br />

5 10 15<br />

Pyramidalization Angle (6ajI-90)°<br />

Figure 15.3. Hybridization <strong>of</strong> fullerene molecules as a function <strong>of</strong> pyramidization<br />

angle (©CTJT; - 90°). Scwi is the common angle <strong>of</strong> the three a bonds.! 5 '

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