Issue 49, 2019

Computational mapping of redox-switchable metal complexes based on ferrocene derivatives

Abstract

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.

Graphical abstract: Computational mapping of redox-switchable metal complexes based on ferrocene derivatives

Supplementary files

Article information

Article type
Communication
Submitted
11 Mär 2019
Accepted
20 Mai 2019
First published
21 Mai 2019

Chem. Commun., 2019,55, 7021-7024

Author version available

Computational mapping of redox-switchable metal complexes based on ferrocene derivatives

A. Lai, J. Clifton, P. L. Diaconescu and N. Fey, Chem. Commun., 2019, 55, 7021 DOI: 10.1039/C9CC01977D

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements