Does the Sign of the Cu-Gd Magnetic Interaction Depend on the Number of Atoms in the Bridge?


Several theoretical investigations with CASSCF methods confirm that the magnetic behavior of Cu-Gd complexes can only be reproduced if the 5d Gd orbitals are included in the active space. These orbitals, expected to be unoccupied, do present a low spin density, which is mainly due to a spin polarization effect. This theory is strengthened by the… (More)
DOI: 10.1002/chem.201504238


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