High-resolution ${}_{}{}^{13}{}_{}{}^{}\mathrm{C}$ NMR study of oxygen intercalation in ${\mathrm{C}}_{60}$

Solid-state high-resolution ${}_{}{}^{13}{}_{}{}^{}\mathrm{C}$ NMR has been used to investigate the physical properties of pristine ${\mathrm{C}}_{60}$ after intercalation with molecular oxygen. By studying the dipolar and hyperfine interactions between Curie-type paramagnetic oxygen molecules and ${}_{}{}^{13}{}_{}{}^{}\mathrm{C}$ nuclei we have shown that neither chemical bonding nor charge transfer results from the intercalation. The ${\mathrm{O}}_2$ molecules diffuse inside the solid ${\mathrm{C}}_{60}$ and occupy the octahedral sites of the fcc crystal lattice. The presence of oxygen does not affect the fast thermal reorientation of the nearest ${\mathrm{C}}_{60}$ molecules. Using magic angle spinning we were able to separate the dipolar and hyperfine contributions to ${}_{}{}^{13}{}_{}{}^{}\mathrm{C}$ NMR spectra, corresponding to fullerenes adjacent to various numbers of oxygen molecules. © 1996 The American Physical Society.