Calibrating Polythiothene 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 propose to measure the solid-state ALC spectra for two relatively short thiophene oligomers. The corresponding spectra have been calculated using DFT with different basis sets and direct comparison with experiment will allow the approprate computation level for these systems to be determined, which will be very useful in predicting ALC spectra and planning the investigation of similar systems

Identifier
DOI https://doi.org/10.5286/ISIS.E.42593309
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/42593309
Provenance
Creator Mr Matt Hodges; Professor Alan Drew; Dr Ke Wang; Dr Mark Telling; Professor Nicola Morley; Dr Francis Pratt
Publisher ISIS Neutron and Muon Source
Publication Year 2016
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 Photon- and Neutron Geosciences
Temporal Coverage Begin 2013-09-28T23:00:00Z
Temporal Coverage End 2013-10-02T23:00:00Z