Figure 4. (a) Simplified molecular orbital diagram for 1-Gd illustrating the formation of a singly occupied three-center σ-bonding orbital of 5d z 2 parentage and spin–spin coupling between the σ and ...

Bottom figures, MO diagrams with the HOMO and HOMO – 1 orbitals drawn in red and blue in the red squares, respectively, and the LUMO and LUMO + 1 orbitals drawn in orange and green in the blue squares ...