Figure 14
Possible super-exchange mechanisms in Co-formate following Anderson's mechanism: (i) a virtual transition from ligand orbital to metal orbital adhering to Pauli's exclusion principle and on-site Hund's rules followed by (ii) direct exchange between electron left on ligand and the other metal orbital. Black arrows represent the metal site's overall spin magnetic moment as a result of super-exchange, white arrows are single electrons, single-arrowed dashed lines represent virtual transitions, double-arrowed dashed lines represent exchange, and the delocalized ligand orbitals are represented as p-orbitals exhibiting the necessary symmetry. When the ligand orbital is non-orthogonal to a double occupied orbital, an additional single occupied orbital on that metal site is drawn translated vertically. (a) Case 1 facilitated through a σ-interaction. (b) Case 2 facilitated though a σ-interaction. (c) Case 1 facilitated through a π-interaction. (d) Case 2 facilitated through a π-interaction. Cases described in main text of Grønbech et al. (2023). Reproduced from Grønbech et al. (2023) with permission from the Royal Society of Chemistry. |