Do f Electrons Play a Role in the Lanthanide−Ligand Bonds? A DFT Study of Ln(NR2)3; R = H, SiH3

The participation of 4f electrons in the bonding of the lanthanide complexes Ln(NR2)3; R = H, SiH3, has been investigated at the DFT level. Structural parameters obtained with small core (f electrons in the valence) and large core (f electrons in the core) effective core potentials (ECPs) suggest th... View More