POLARIZABILITIES OF FULLERENES C-20 THROUGH C-240 FROM ATOM MONOPOLE-DIPOLE INTERACTION THEORY

The linear uniform field electric dipole polarizability tensors of 46 fullerenes in the range C-20 through C-240 are calculated by the Olson -Sundberg atom monopole-dipole interaction (AMDI) theory, using the mo nopole and dipole polarizabilities of the carbon atom found previously to fit polarizability tensors of aromatic hydrocarbons. The structure s are taken to be those predicted by Zhang and co-workers by molecular dynamics energy optimization. The isotropic mean polarizabilities cal culated for C-60 and C-70 are comparable to experimental data from sol id film studies and to quantum mechanical calculations. Polarizability tensors are also calculated for conducting ellipsoidal shells which h ave the same moment of inertia tenser as the corresponding fullerenes. These are substantially smaller than the AMDI polarizabilities for th e smaller fullerenes, but the two calculations tend to converge for th e larger molecules.