ISIS Neutron and Muon Source Data Journal

Cation reorientation dynamics in a hybrid Prussian blue analogue

Abstract: 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.

Public release date: 12 February 2021

Principal Investigator: Dr Anthony Phillips
Experimenter: Mr James Bassett
Experimenter: Professor Martin Dove
Local Contact: Dr Franz Demmel
Experimenter: Miss Jiaxun Liu
Experimenter: Mr Zhengqiang Yang

DOI: 10.5286/ISIS.E.90736630

Parent DOI: 10.5286/ISIS.E.RB1620286

ISIS Experiment Number: RB1620286

Part Number: 2

Date of Experiment: 10 February 2018

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Anthony Phillips et al; (2018): Cation reorientation dynamics in a hybrid Prussian blue analogue, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.90736630