Calibrating Polythiophene ALC Spectroscopy with Oligomers

DOI

Recent studies of polythiophene using HiFi have suggested that ALC should be a very sensitive probe of the structural state of a polymer via its effect on the spatial extent of the spin distribution in the muon radical, with a shift in resonance position as large as 50% having been seen in P3OT, depending on its state of crystallinity. In order to get a good calibration between resonance position and the constrained spatial extent of the radical imposed by the local structure of the polymer, we are engaged in measuring the solid-state ALC spectra of a set of thiophene oligomers. The corresponding muon radical spectra have been calculated using DFT and both theoretical and experimental evidence is found for addition to S as well as C sites. Resonance splittings are also found at low temperature, showing the effect of solid-state intermolecular interactions on the radical structure.

Identifier
DOI https://doi.org/10.5286/ISIS.E.49916192
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/49916192
Provenance
Creator Professor Alan Drew; Dr Francis Pratt; Dr Ke Wang; Professor Nicola Morley
Publisher ISIS Neutron and Muon Source
Publication Year 2017
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences; Physics
Temporal Coverage Begin 2014-05-24T23:00:00Z
Temporal Coverage End 2014-05-30T23:00:00Z