Exaltation of polarizability as a common property of fullerene dimers with diverse intercage bridges

ABSTRACT

In the present work, polarizability of 34 C₆₀ fullerene dimers with different bridges between the cages has been studied by the PBE/3ζ density functional theory method and relevant additive scheme. All studied compounds reveal the exaltation polarizability Δα (positive deviation of the DFT-calculated mean polarizability from the additive value), which was previously found for the fullerene dimers with the direct linkage of the fullerene moieties, so it is a common property of fullerene dimers regardless of their chemical nature. The Δα values depend on intercage distance L and the type of the bridging group and almost independent of topological features of the structures.

KEYWORDS:

• fullerene dimers
• polarizability
• density functional theory
• superadditivity