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W‐ and X‐band EPR investigation of Sc 3 @C 82
Author(s) -
Rahmer Jürgen,
Dunsch Lothar,
Dorn Harry,
Mende Jens,
Mehring Michael
Publication year - 2005
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1665
Subject(s) - chemistry , electron paramagnetic resonance , crystallography , nuclear magnetic resonance , physics
Sc 3 @C 82 has been investigated by X‐ and W‐band EPR. The isotropic and anisotropic hyperfine interaction between the electron spin and the 45 Sc nuclei of the Sc 3 ‐triangle was evaluated. In addition, a statistical model analyzing the 13 C hyperfine coupling of the C 82 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 Sc 3 ‐triangle inside the C 82 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. Copyright © 2005 John Wiley & Sons, Ltd.