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Dynamic dimer copper coordination redox shuttles

Title: Dynamic dimer copper coordination redox shuttles
Authors: Benesperi I; Michaels H; Edvinsson T; Pavone M; Probert MR; Waddell P; Munoz-Garcia AB; Freitag M
Source: Chem, 10 February 2022
Publisher Information: Cell Press
Publication Year: 2022
Collection: Newcastle University Library ePrints Service
Description: © 2021 Elsevier Inc. Conventional redox mediators based on metal coordination complexes undergo electron transfer through the change in oxidation state of the metal center. However, electron transfer kinetics are offset toward preferred oxidation states when preorganized ligands constrain the reorganization of the coordination sphere. In contrast, we report here on dimeric copper(II/I) redox couples, wherein the extent of oxidation/reduction of two metal centers dictates the dynamic formation of dimer and monomer complexes: the dimeric (Cu(I))2 transitions to monomers of Cu(II). The bis(thiazole/pyrrole)-bipyridine tetradentate ligands stabilize both oxidation states of the unique redox systems. The dynamic dimer redox mediators offer a viable two-electron redox mechanism to develop efficient hybrid solar cells through inhibited recombination and rapid charge transport. Density functional theory calculations reveal inner reorganization energies for single-electron transfer as low as 0.27 eV, marking the dimeric complexes superior redox systems over single complexes as liquid and potentially solid-state electrolytes.
Document Type: article in journal/newspaper
Language: unknown
Relation: https://eprints.ncl.ac.uk/280389
Availability: https://eprints.ncl.ac.uk/280389
Accession Number: edsbas.DA492951
Database: BASE