ausblenden:
Schlagwörter:
density functional calculations; iron; magnetic properties; manganese; zero-field splitting
Zusammenfassung:
Predicting single‐molecule magnets? Magnetic anisotropy, a property that plays a key role in single‐molecule magnets (SMMs), has been analyzed by using theoretical methods. Mononuclear complexes and the dependence of the magnetic anisotropy on their geometrical and electronic structure, as well as how such mononuclear complexes must be combined as building blocks to obtain polynuclear complexes with large anisotropy (see figure) are considered.
