Amy Lai, Jamie Clifton, Paula L. Diaconescu and Natalie Fey
Chem. Commun., 2019,55, 7021-7024
DOI:
10.1039/C9CC01977D,
Communication
DFT calculations were used to capture the properties of redox-switchable metal complexes relevant to the ring-opening polymerisation of cyclic esters by varying the metals, donors, linkers, and substituents in both accessible ferrocene oxidation states. A map of this chemical space highlights that modifying the ligand architecture and the metal has a larger impact on structural changes than changing the oxidation state of the ferrocene backbone.
