ISIS Neutron and Muon Source Data Journal

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

Abstract: 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.

Principal Investigator: Professor Simon Parsons
Experimenter: Mr Giles Flowitt-Hill
Experimenter: Dr Matthew Johnson
Experimenter: Dr Helen Playford
Experimenter: Dr Matthew Tucker
Experimenter: Dr Nicholas Funnell
Experimenter: Professor Martin Dove
Experimenter: Mr Alistair Overy

DOI: 10.5286/ISIS.E.RB1510392

ISIS Experiment Number: RB1510392

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:
Professor Simon Parsons et al; (2015): Total scattering study of the II to I phase transition in pyridine, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510392

Data is released under the CC-BY-4.0 license.