title: Fullerene anions of different sizes and shapes: a 13C NMR and density-functional study.
abstract: A combined experimental and theoretical study was conducted on numerous higher fullerene anions with different sizes and shapes, C76-D2, C78-C2v, C78-D3, C84-D2, and C84-D2d. The corresponding fullerenes were reduced by lithium metal to diamagnetic multiply charged anions. The centers of gravity of the 13C NMR spectra of all the multiply charged anions were deshielded, relative to those of the neutral fullerenes. The results of density functional (DFT) computations of the 13C NMR spectra and the molecular orbitals (MOs) of possible polyanion reduction products suggest that hexaanions were the species formed.
authors.affiliation: Department of Organic Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904, Israel.
authors.forename: Tamar
authors.initials: T
authors.lastname: Sternfeld
authors.forename: Carlo
authors.initials: C
authors.lastname: Thilgen
authors.forename: Zhongfang
authors.initials: Z
authors.lastname: Chen
authors.forename: Siefke
authors.initials: S
authors.lastname: Siefken
authors.forename: Paul von Ragué
authors.initials: Pv
authors.lastname: Schleyer
authors.forename: Walter
authors.initials: W
authors.lastname: Thiel
authors.forename: François
authors.initials: F
authors.lastname: Diederich
authors.forename: Mordecai
authors.initials: M
authors.lastname: Rabinovitz