Framework flexibility and host-guest hydrogen bonding in the metal-organic double perovskite (D5C3N2)2K[Fe(CN)6]

DOI

The recently reported double perovskite analogue imidazolium potassium iron(III) cyanide is noteworthy for two reasons. First, the order-disorder phase transitions, in which the imidazolium ion freezes into a single orientation within the host framework, are interesting in their own right, and are linked to ferroelectric transitions in the metal-formate perovskites. Second, the two very different cyanide coordination octahedra provide an ideal opportunity to isolate the effect of each on the framework flexibility. We propose a total neutron scattering study, followed by reverse Monte Carlo (RMC) analysis, to model the local correlations in this material as a function of temperature. We hope to elucidate both the behaviour of the guest (especially across the second-order phase transition, which is currently poorly understood) and the rigidity or otherwise of the surrounding framework.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24090596
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24090596
Provenance
Creator Professor Martin Dove; Dr Anthony Phillips; Dr Matthew Tucker; Dr Helen Duncan; Miss Juan Du; Miss Serena A. Maugeri; Mr Dominic Carter; Dr Viswanathan Mohandoss; Mr Edward Beake; Dr Donna Arnold
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 2013-05-27T23:00:00Z
Temporal Coverage End 2013-06-04T08:29:48Z