Sternfeld, Tamar Thilgen, Carlo Chen, Zhongfang Siefken, Siefke von Ragué Schleyer, Paul Thiel, Walter Diederich, François Rabinovitz, Mordecai Fullerene Anions of Different Sizes and Shapes:  A <sup>13</sup>C NMR and Density-Functional Study A combined experimental and theoretical study was conducted on numerous higher fullerene anions with different sizes and shapes, C<sub>76</sub>-<i>D</i><sub>2</sub>, C<sub>78</sub>-<i>C</i><sub>2</sub><i><sub>v</sub></i>, C<sub>78</sub>-<i>D</i><sub>3</sub>, C<sub>84</sub>-<i>D</i><sub>2</sub>, and C<sub>84</sub>-<i>D</i><sub>2</sub><i><sub>d</sub></i>. The corresponding fullerenes were reduced by lithium metal to diamagnetic multiply charged anions. The centers of gravity of the <sup>13</sup>C 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 <sup>13</sup>C NMR spectra and the molecular orbitals (MOs) of possible polyanion reduction products suggest that hexaanions were the species formed. C 2 v;fullerene;C 78;13 C NMR;DFT;polyanion reduction products;13 C NMR spectra;D 2;C 84;MO 2003-05-16
    https://acs.figshare.com/articles/journal_contribution/Fullerene_Anions_of_Different_Sizes_and_Shapes_A_sup_13_sup_C_NMR_and_Density-Functional_Study/3698217
10.1021/jo030106n.s001