ISIS Neutron and Muon Source Data Journal

A high pressure diffraction study of the formation of symmetric hydrogen bonds in Imidazole

Abstract: The imidazole ring is important in both biologically important molecules and materials chemistry. That imidazole derivatives can function in such diverse roles is due in part to the ability imidazole to function both as a hydrogen bond donor and acceptor. In the solid imidazole rings form chains linked by asymmetric N-H---N hydrogen bonds. High pressure x-ray diffraction studies have indicated that compression of imidazole is accompanied by decreasing N---N separation and that at high pressures a symmetric N--H--N hydrogen bond would be formed. This was confirmed by a Raman study which indicated that this occurred at approximately 10 GPa. We propose to study this process by high pressure neutron powder diffraction. The information that we will obtain on the nature of hydrogen bonding in imidazole, will aid our understanding their mode of operation in biological and materials chemistry

Principal Investigator: Dr Richard Jones
Experimenter: Dr Craig Bull

DOI: 10.5286/ISIS.E.RB1910263

ISIS Experiment Number: RB1910263

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:
Dr Richard Jones et al; (2019): A high pressure diffraction study of the formation of symmetric hydrogen bonds in Imidazole, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1910263

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