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

DOI

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

Identifier
DOI https://doi.org/10.5286/ISIS.E.RB1910263-1
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/103216709
Provenance
Creator Dr Craig Bull; Dr Richard Jones
Publisher ISIS Neutron and Muon Source
Publication Year 2022
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 2019-06-10T09:00:00Z
Temporal Coverage End 2019-06-15T09:00:00Z