The influence of deuteration on the low temperature structural phase transition in lead di-acetate tri-hydrate

DOI

Lead di-acetate tri-hydrate (Pb(CH3COO)2.3H2O undergoes a second order structural phase transition around 100K. The organic molecules in this structure form sheets of H bonded molecules. We propose to study the low temperature structure of (Pb(CH3COO)2.3H2O. In this stucture the disorder in the water molecules will most likely disappear. We also propose to study the inflence of partial and full deuteration on the hydrogen/deuteruim network of (Pb(CH3COO)2.3H2O. The crystal structures data will be used in DFT calculations in order to get insight into the ordering process of the H/D bond network.

Identifier
DOI https://doi.org/10.5286/ISIS.E.59897924
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/59897924
Provenance
Creator Dr Matthias Gutmann; Mr Michael Cropper; Dr Andrew Caruana; Dr Dirk Visser; Dr Marek Jura; Dr Kelly Morrison
Publisher ISIS Neutron and Muon Source
Publication Year 2017
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 2014-08-09T23:00:00Z
Temporal Coverage End 2014-08-11T23:00:00Z