Oleg V. Prezhdo

Exohedral 1:2Complexes of Lanthanide Atoms with theC60 Fullerene: What Hapticity Is Preferred, η10, η11, or η12?

Abstract The structure of crystalline lanthanide–C60 fullerides allows for the Ln atom coordination to two rings of adjacent fullerene molecules simultaneously, where the resulting Ln hapticity can be η10, η11, or η12. We analyze the geometries, bonding strength, charge, spin, an...