Figure 8: Kohn Sham molecular orbital representations of the principal Th–As interactions of 5.
HOMO (a, −3.615 eV) and HOMO-1 (b, −4.372 eV) represent the two principal thorium–arsenic dative π-symmetry and covalent σ-bonding interactions in 5.
Figure 8: Kohn Sham molecular orbital representations of the principal Th–As interactions of 5. | Nature Communications
