Dependence of static polarizabilities of C60Xn fullerene cycloadducts on the number of added groups X = CH2 and NH (n = 1–30)

A model of fullerene derivatives polarizability with cyclopropane C60(CH2)n and aziridine moieties C60(NH)n has been developed. DFT-calculations show that the mean polarizabilities of both classes of cycloadducts do not grow linearly with the increase of n value, and are characterized by negative deviations from the additive scheme, i.e. the depression of polarizability. This phenomenon may be important in the design of fullerene-containing nanostructures with regulated polar characteristics.