ISIS Neutron and Muon Source Data Journal

Copy of: Structural Characterization of the Molecular Interactions in Concentrated Aqueous Azole Solutions:1,2,3-Triazole and 1,2,4-Triazole.

Abstract: Azoles constitute an interesting class of heteroaromatic molecules because of the presence of two different structural patterns, such as p-electron networks and Hydrogen-bond donor and acceptor groups. Azoles are exposed to water solvent in a large number of biological system. The structure of aqueous solutions of azoles is of great interest: hydration is a complex phenomenon and the use of a combined approach is required to completely describe its structural and dynamical aspects. Spectroscopic and diffraction techniques provide qualitative information on intermolecular interactions: X-ray scattering is insensitive to H atoms. Neutron diffraction is sensitive to scattering from all constituent atoms, C, N, O, H. We would like to use this technique to examine the solvation and intermolecular interactions of the two concentrated aqueous azole solutions: 1,2,3-Triazole and 1,2,4-Triazole.

Principal Investigator: Professor Fabio Ramondo
Experimenter: Dr Viviana Cristiglio
Experimenter: Dr Francesco Grazzi
Local Contact: Dr Oliver Alderman
Experimenter: Dr Louis Hennet
Experimenter: Mr Davide Coco
Local Contact: Dr Terri-Louise Hughes
Experimenter: Dr Gianluca Aroldi

DOI: 10.5286/ISIS.E.RB2220411

ISIS Experiment Number: RB2220411

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:
Professor Fabio Ramondo et al; (2024): Copy of: Structural Characterization of the Molecular Interactions in Concentrated Aqueous Azole Solutions:1,2,3-Triazole and 1,2,4-Triazole., STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2220411

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