Structure and dynamics of quartz-like metal-organic frameworks (MOFs)

DOI

As part of an ongoing effort to understand the underlying physics of MOFs, we propose to study the local structure and dynamics in two quartz-like systems: indium deuterium terephthalate and zinc nicotinamide. By focussing on MOFs with direct SiO2 analogues it becomes possible to quantify which aspects of their behaviour can be well understood in terms of the dynamics of "traditional" frameworks, and which aspects are unique to the MOF family. We have chosen systems that exhibit negative thermal expansion behaviour, and which contain a range of "supramolecular" interactions ¿ pi-pi stacking and hydrogen bonding ¿ whose effect on the dynamical behaviour of these materials we aim to quantify. We will use GEM to collect total scattering data for a range of temperatures and use these data to produce reverse Monte Carlo (RMC) configurations, on which our analysis will be based.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24086401
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24086401
Provenance
Creator Professor Andrew Goodwin; Professor Martin Dove; Professor David Keen; Dr Matthew Tucker; Dr Ines Collings; Ms Leila Rimmer; Mr Callum Young
Publisher ISIS Neutron and Muon Source
Publication Year 2014
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 2011-07-15T12:56:27Z
Temporal Coverage End 2011-07-20T08:27:44Z