Large magnetic anisotropy in mononuclear metal complexes

- Mononuclear single-molecule magnets (SMMs) are reviewed.
- Transition metal complexes (TMCs) can have easy-axis or easy-plane magnetic anisotropy.
- Coordination mode and electronic configuration are essential for TMCs.
- SMM lanthanide complexes are mainly dependent of electrostatic effects.
- High-level CASSCF (or CASPT2) including spin-orbit are needed.