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N 1 2-Rule for Spherical Aromaticity

It was discovered, however, that the spherical aromaticity of the icosahedral fullerenes C20, Cjq and CgQ depends on the filling of the Jt-sheUs with electrons [107]. As pointed out in Section 14.3.1 no distortion of the cage structure is expected in these fullerenes if their shells are fully filled. Closed-shell situations are realized if the fullerene contains 2(N -1-1) Jt electrons. This is closely related to the stable noble-gas configuration of atoms or atomic ions [108]. In this case the electron distribution is spherical and all angular momenta are symmetrically distributed. Correlation of the aromatic character determined by the magnetic properties is shown in Table 14.3. [Pg.405]

One key conclusion is that the entire molecule must be taken into account to understand the aromatic properties of icosahedral fullerenes. The 2(N -1-1) rule of spherical aromaticity also sufficiently describes the magnetic behavior of non-icosahedral fullerenes [128], homoaromatic cage molecules [129], and inorganic cage molecules [130], [Pg.406]

Clearly, for fullerenes with a lower symmetry, local substructures, such as the cyclic phenylene belt of C7Q, can also largely determine the magnetic behavior. [Pg.406]




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