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Portrait of Tönu Pullerits; Photo: Kennet Ruona

Tönu Pullerits

Professor

Portrait of Tönu Pullerits; Photo: Kennet Ruona

Tuning Photoinduced Electron Transfer in POM-Bodipy Hybrids by Controlling the Environment : Experiment and Theory

Author

  • Georgios Toupalas
  • Joshua Karlsson
  • Fiona A. Black
  • Albert Masip-Sánchez
  • Xavier López
  • Youssef Ben M'Barek
  • Sébastien Blanchard
  • Anna Proust
  • Sandra Alves
  • Pavel Chabera
  • Ian P. Clark
  • Tönu Pullerits
  • Josep M. Poblet
  • Elizabeth A. Gibson
  • Guillaume Izzet

Summary, in English

The optical and electrochemical properties of a series of polyoxometalate (POM) oxoclusters decorated with two bodipy (boron-dipyrromethene) light-harvesting units were examined. Evaluated here in this polyanionic donor-acceptor system is the effect of the solvent and associated counterions on the intramolecular photoinduced electron transfer. The results show that both solvents and counterions have a major impact upon the energy of the charge-transfer state by modifying the solvation shell around the POMs. This modification leads to a significantly shorter charge separation time in the case of smaller counterion and slower charge recombination in a less polar solvent. These results were rationalized in terms of Marcus theory and show that solvent and counterion both affect the driving force for photoinduced electron transfer and the reorganization energy. This was corroborated with theoretical investigations combining DFT and molecular dynamics simulations.

Department/s

  • Chemical Physics
  • NanoLund: Center for Nanoscience
  • eSSENCE: The e-Science Collaboration

Publishing year

2021

Language

English

Pages

6518-6525

Publication/Series

Angewandte Chemie - International Edition

Volume

60

Issue

12

Document type

Journal article

Publisher

John Wiley & Sons Inc.

Topic

  • Physical Chemistry
  • Materials Chemistry
  • Condensed Matter Physics

Keywords

  • donor-acceptor systems
  • electron transfer
  • molecular dynamic simulations
  • noncovalent interactions
  • polyoxometalates

Status

Published

ISBN/ISSN/Other

  • ISSN: 1433-7851