ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Unconventional contacts in aqueous solutions of substituted aromatics: Evidence for lone pair-? hole and lone pair-hole in the liquid state.
Abstract: Intermolecular interactions between aromatics and water are ubiquitous in biological, physical and chemical sciences, as they underpin drug development, drug/ligand binding, and molecular recognition. In addition, aromatics/water contacts contribute significantly to the stabilization of supramolecular structures, playing a critical role in protein folding. The presence of functional groups strongly affects the solubility and reactivity of aromatics in water by introducing hydrogen-bonding moieties, which affect the interaction with water and modify the ring electron density. Here we request to run the remaining compositions to complete the series of phenol/water solutions, to have a consistent set of isotopically distinct samples for publication.
Principal Investigator: Professor Neal Skipper
Local Contact: Dr Tom Headen
Experimenter: Dr Camilla Di Mino
DOI: 10.5286/ISIS.E.RB2500012
ISIS Experiment Number: RB2500012
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2500012-1 | NIMROD | 16 March 2028 | Download |
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 Neal Skipper et al; (2025): Unconventional contacts in aqueous solutions of substituted aromatics: Evidence for lone pair-? hole and lone pair-hole in the liquid state., STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2500012
Data is released under the CC-BY-4.0 license.
