Onset of the dynamic disorder in benzoic (BA) and para-iodo-benzoic acid (IBA): a Neutron Compton Scattering comparative study.

DOI

Halogen substituted benzoic acids were proposed for organic-organic heteroepitaxy in semiconductor industry for the many parameters, like hydrogen disorder or molecular polarizability, that could be varied in order to affect the crystallinity and orientation of the growing semiconductor. Neutron diffraction (ND) has recently evidenced that positional disorder on the hydrogen atoms site appears in IBA only above 100K, i.e. there is a temperature offset of about 100K in the energy necessary for the proton hopping, as compared to the hydrogen disorder in BA. Moreover, Anisotropic Displacement Parameters in IBA are consistent with a low frequency out-of-plane libration of the COOH group, not present in BA. This proposal aims at mapping the ND evidenced differences in the onset of the dynamic disorder in BA and IBA by comparing the anisotropy of proton momentum distributions in BA and IBA.

Identifier
DOI https://doi.org/10.5286/ISIS.E.63525547
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/63525547
Provenance
Creator Dr Matthew Krzystyniak; Dr Silvia Capelli
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 2015-09-14T08:00:00Z
Temporal Coverage End 2015-09-22T16:00:00Z