Spin density distribution in transition metal complexes

摘要

The computational approaches that can be used to calculate the spin density distribution in transition metal compounds are discussed, the characteristic trends involving spin delocalization and spin polarization mechanisms are summarized, and the characteristic shapes of the spin density distributions around a transition metal atom are presented. Reference is also made to experimental methods to determine spin density distributions and to incipient work in the field of high spin molecules and single-molecule magnets.