Regioselective derivatization of C84 by Diels-Alder reactions: applications to photovoltaic solar cells and fullerene polymerization

Abstract

Regioselective properties of a D2d-C84 in multistep [4 + 2] cycloadditions and the applications of bis-functional C84 derivatives were investigated. Density functional calculations demonstrate that an indene-C84 bisadduct is a promising electron acceptor in organic solar cells and a C84-bis-anthracene copolymer can be utilized as a charge-transfer material.