Total scattering study of the II to I phase transition in pyridine

DOI

Atomistic characterisation of phase transitions in organic materials is important because of the role played by polymorphism in pharmaceuticals and agochemicals. Conventional crystallographic experiments yield an average view of the crystalline state, a substantial approximation in the context of dynamic phenomena like phase transitions. For example there is no information in an ¿average¿ crystal structure on defects which play a crucial role in reconstructive phase transitions. We will study an unusual transition in pyridine which is only observed if the sample is deuterated. Pyridine-d5 forms a complex Z¿=4 phase on cooling from the liquid. This phase can be cooled to 2K, where it is metastable. On warming to 170 K it transforms to a Z¿=1 phase, which transforms back to the Z¿=4 phase at 215 K. Total scattering analysis will explore the role of stacking defects in these transitions.

Identifier
DOI https://doi.org/10.5286/ISIS.E.59638011
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/59638011
Provenance
Creator Mr Giles Flowitt-Hill; Dr Matthew Johnson; Dr Helen Playford; Professor Simon Parsons; Dr Matthew Tucker; Dr Nicholas Funnell; Professor Martin Dove; Mr Alistair Overy
Publisher ISIS Neutron and Muon Source
Publication Year 2018
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 Chemistry; Natural Sciences
Temporal Coverage Begin 2015-04-13T07:00:00Z
Temporal Coverage End 2015-04-16T13:41:23Z