Cation reorientation dynamics in a hybrid Prussian blue analogue

DOI

The cubic pores in many Prussian blue analogues are big enough to contain organic cations. In the material (HIm)2K[Fe(CN)6], the imidazolate guest cation is free to rotate in two high-T phases but freezes into position, altering the dielectric constant, at low T. The structural difference between the high-T phases remains controversial. Although the Co analogue has been studied by NMR, the paramagnetic Fe compound cannot be. We thus propose instead to investigate the imidazolate rotation in this material via quasi-elastic neutron scattering. Analysis of the elastic incoherent structure factor as a function of temperature will confirm the number of rotational orientations available to the cation and determine the activation energy for hopping between them. This will resolve the structural controversy and inform the design of new framework materials with targeted dielectric properties.

Identifier
DOI https://doi.org/10.5286/ISIS.E.90736630
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/90736630
Provenance
Creator Mr James Bassett; Professor Martin Dove; Dr Franz Demmel; Miss Jiaxun Liu; Mr Zhengqiang Yang; Dr Anthony Phillips
Publisher ISIS Neutron and Muon Source
Publication Year 2021
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 Natural Sciences; Physics
Temporal Coverage Begin 2018-02-10T09:00:00Z
Temporal Coverage End 2018-02-12T09:00:00Z