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Donor and Geometry Optimization: Fresh Perspectives for the Design of Polyoxometalate Charge Transfer Chromophores

Dataset

  • Bethany Rose Hood (Creator)
  • Yovan de Coene (Creator)
  • Claire F. Jones (Creator)
  • Noah Deveaux (Creator)
  • Jack Barber (Creator)
  • Charlotte Marshall (Creator)
  • Chloe Jordan (Creator)
  • Nathan Halcovitch (Creator)
  • Benoît Champagne (Creator)
  • Koen Clays (Creator)
  • John Fielden (Creator)

Description

Dataset in support of the above paper: Inorg. Chem. 2025,64,8408
Data was created by experiment (synthetic chemistry, electrochemical and photophysical measurement) and computation (DFT/TD-DFT).
The project investigated development of:
(1) Polyoxometalate-based non-linear optical materials with enhanced responses (higher beta)
(2) Switching the non-linear responses electrochemically

It was funded by EPRSC, The Leverhulme Trust, University of East Anglia and Lancaster University, plus funding sources supporting collaborators in Belgium (details below).
Date made available2025
PublisherLancaster University

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Facilities/Equipment

  • X-Ray single crystal diffractometer

    Facility/Equipment: Equipment

Research outputs