IR, NIR, and UV Absorption Spectroscopy of C<sub>60</sub><sup>2+</sup> and C<sub>60</sub><sup>3+</sup> in Neon Matrixes

C<sub>60</sub><sup>2+</sup> and C<sub>60</sub><sup>3+</sup> were produced by electron-impact ionization of sublimed C<sub>60</sub> and charge-state-selectively codeposited onto a gold mirror substrate held at 5 K together with neon matrix gas containing a few percent of the electron scavengers CO<sub>2</sub> or CCl<sub>4</sub>. This procedure limits charge-changing of the incident fullerene projectiles during matrix isolation. IR, NIR, and UV–vis spectra were then measured. Ten IR absorptions of C<sub>60</sub><sup>2+</sup> were identified. C<sub>60</sub><sup>3+</sup> was observed to absorb in the NIR region close to the known vibronic bands of C<sub>60</sub><sup>+</sup>. UV spectra of C<sub>60</sub>, C<sub>60</sub><sup>+</sup>, and C<sub>60</sub><sup>2+</sup> were almost indistinguishable, consistent with a plasmon-like nature of their UV absorptions. The measurements were supported by DFT and TDDFT calculations, revealing that C<sub>60</sub><sup>2+</sup> has a singlet <i>D</i><sub>5<i>d</i></sub> ground state whereas C<sub>60</sub><sup>3+</sup> forms a doublet of <i>C</i><sub><i>i</i></sub> symmetry. The new results may be of interest regarding the presence of C<sub>60</sub><sup>2+</sup> and C<sub>60</sub><sup>3+</sup> in space.