Alloxan - a high density organic under pressure

DOI

Organic molecular crystal structures have densities that are typically in the range 1.2-1.4 gcm-3 although these can be increased, in general, to ca. 2.0 GPa through application of pressure. However, the organic heterocycle alloxan is an anomaly, measuring 1.962 gcm-3 at ambient conditions. Compression of an already-dense material gives us a ‘head-start’, enabling us to explore a high-density region of phase space that would otherwise require improvements in pressure equipment for ‘typical’ organics. We will observe the compression mechanism of alloxan, up to 10 GPa, and quantify the strengths of its intermolecular interactions, as it experiences abnormally high densities, in the context of organic structures. Alloxan also undergoes a transition from P41212 to P212121 at 35 K and we will aim to see whether this transition can also be induced via pressure.

Identifier
DOI https://doi.org/10.5286/ISIS.E.83552946
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/83552946
Provenance
Creator Professor Simon Parsons; Dr Nicholas Funnell; Dr Craig Bull
Publisher ISIS Neutron and Muon Source
Publication Year 2020
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 2017-09-29T09:00:00Z
Temporal Coverage End 2017-11-16T08:39:21Z