Abstract
Sc3@C82 has been investigated by X- and W-band EPR. The isotropic and anisotropic hyperfine interaction between the electron spin and the 45Sc nuclei of the Sc3-triangle was evaluated. In addition, a statistical model analyzing the 13C hyperfine coupling of the C82 cage is applied and its consequences for the charge transfer are discussed. The observed EPR line broadening with decreasing temperature was modeled with a simple exchange model, which considers the molecular motion of the Sc3-triangle inside the C82 cage. This allowed the estimation of the linewidth contributions of the hyperfine- and g-anisotropies as well as the temperature dependence of the exchange rate, which increases rapidly with temperature and follows an exponential law.
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