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. 2021 Jul 7;12(33):11225–11235. doi: 10.1039/d1sc02948g

Fig. 4. CASSCF natural orbitals of [rac-7]− describing the π interaction between the cobalt atom and the η4-1,3-tBu2C2P2 ligand (183: bonding; 184: antibonding). Orbital occupations and contributions of 3d orbitals on Co are given in parentheses. Surface isovalue = 0.05.

Fig. 4