Bc. Wang et Yn. Chiu, GEOMETRY AND ORBITAL SYMMETRY RELATIONSHIPS OF GIANT AND HYPERFULLERENES - C240, C540, C960 AND C1500, Synthetic metals, 56(2-3), 1993, pp. 2949-2954
From the truncation of the triangular faces of an icosahedron, a metho
d is devised to perceive the geometrical relationship between the (gia
nt) fullerene components of hyperfullerenes: C60, C240, C540, C960 and
C1500. This method also allows the calculation of the number of hexag
onal faces (besides the 12 pentagonal faces), vertices and edges of an
y giant fullerene of such I(h) symmetry. From symmetry considerations,
the irreducible representations of all of the sigma and pi molecular
orbitals of such giant fullerenes are deduced. The cage diameters and
the distance between two neighboring encapsulating cage fullerenes are
estimated. the overlap integrals between nearest neighbor carbon atom
s based on their orientational relationship are calculated. The relati
ve sizes of the integrals may be used to estimate the relative bonding
strength and interaction potentials of these fullerenes.