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

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journal contribution
posted on 2018-12-15, 06:15 authored by Alina A. Tukhbatullina, Igor S. Shepelevich, Denis Sh. Sabirov

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.

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