Modulating stability of functionalized fullerene cations [R-C ] with the nature of R-group.

In this study, the first comprehensive theoretical investigation of the stability of functionalized fullerene-based cations [R-C ] and its relationship with the nature of the attached R-group was performed. C -Fullerene core was functionalized with an alkyl group of different length (R = (CH ) CH , where n = 0-9). This set was further complemented by bulky isopropyl and tert-butyl and conjugated phenyl groups.