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.
Disordered Materials Express Proposal: Reavealing the Pi interaction between olefin and methanol
Abstract: This proposal aims to investigate the nature of the weak interaction between carbon - carbon double bonds and polar solvents.Data on linear and cyclic alkenes in methanol have already been acquired and analysed via EPSR simulations, these however don't show the interaction we are looking for and seem to be strongly dipendent on the parameters used, such as Lennard - Jones potentials and partial charges.We are asking then to acquire data to study a simpler and rigid alkene, tetramethyl ethylene, in methanol, hoping that the rigidity and the high symmetry would work as a contraint for the simulations revealing whether or not the Pi interaction is present.
Principal Investigator: Professor Neal Skipper
Experimenter: Dr Camilla Di Mino
Experimenter: Dr Andrew Seel
Local Contact: Dr Tom Headen
Experimenter: Dr Adam Clancy
DOI: 10.5286/ISIS.E.RB2000223
ISIS Experiment Number: RB2000223
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2000223-1 | NIMROD | 15 June 2024 | 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; (2021): Disordered Materials Express Proposal: Reavealing the Pi interaction between olefin and methanol, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2000223
Data is released under the CC-BY-4.0 license.
