title: Fullerene cyanation does not always increase electron affinity: an experimental and theoretical study.
abstract: The electron affinities of C70 derivatives with trifluoromethyl, methyl and cyano groups were studied experimentally and theoretically using low-temperature photoelectron spectroscopy (LT PES) and density functional theory (DFT). The electronic effects of these functional groups were determined and found to be highly dependent on the addition patterns. Substitution of CF3 for CN for the same addition pattern increases the experimental electron affinity by 70 meV per substitution. The synthesis of a new fullerene derivative, C70(CF3)10(CN)2, is reported for the first time.
authors.affiliation: Department of Chemistry, Colorado State University, Fort Collins, CO 80523, USA. steven.strauss@colostate.edu olga.boltalina@colostate.edu.
authors.forename: Tyler T
authors.initials: TT
authors.lastname: Clikeman
authors.forename: Shihu H M
authors.initials: SH
authors.lastname: Deng
authors.forename: Alexey A
authors.initials: AA
authors.lastname: Popov
authors.forename: Xue-Bin
authors.initials: XB
authors.lastname: Wang
authors.forename: Steven H
authors.initials: SH
authors.lastname: Strauss
authors.forename: Olga V
authors.initials: OV
authors.lastname: Boltalina
mesh_terms: D003486:Cyanides / Q000737:chemistry*; D004583:Electrons; D037741:Fullerenes / Q000737:chemistry*; D054879:Halogenation; D008745:Methylation; D008958:Models, Molecular
chemical_list: D003486:Cyanides; D037741:Fullerenes