ALC studies of solid benzene

DOI

For muoniated radical spectroscopy studies, benzene has long been the classic prototype system. However most of these studies have been at higher temperatures, often in the liquid phase, whereas calculations of hyperfine coupling are generally made at zero temperature, deep in the solid phase. It is therefore desirable to obtain reference ALC data for benzene extending to as low a temperature as possible, to allow accurate comparison to be made with DFT computations of the full hyperfine tensor including the effects of zero point motion. HiFi will be therefore be used to study the ALC spectrum of solid benzene over as wide a range of temperature as possible and spectral anomalies suggested by previous reports will also be investigated further, in particular a low temperature spectral feature that is suggested to be a signature of quantum diffusion of muonium round the ring.

Identifier
DOI https://doi.org/10.5286/ISIS.E.67770739
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/67770739
Provenance
Creator Dr Francis Pratt; Dr Stephen Cottrell; Professor Tom Lancaster; Dr Jamie Peck
Publisher ISIS Neutron and Muon Source
Publication Year 2018
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 2015-12-02T09:00:00Z
Temporal Coverage End 2015-12-07T09:00:00Z