ISIS Neutron and Muon Source Data Journal

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

Abstract: 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.

Principal Investigator: Dr Silvia Capelli
Experimenter: Dr Matthew Krzystyniak

DOI: 10.5286/ISIS.E.RB1520359

ISIS Experiment Number: RB1520359

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Silvia Capelli et al; (2015): Onset of the dynamic disorder in benzoic (BA) and para-iodo-benzoic acid (IBA): a Neutron Compton Scattering comparative study., STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1520359

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