ISIS Neutron and Muon Source Data Journal

Examining the change from ?-? stacked to hydrogen-bonded interactions in 1-alkyl-3-methylimidazolium bis(oxalate)borate ionic liquids

Abstract: We propose to study the liquid structure of two ionic liquids with bis(oxalate)borate anions, [C1mim][BOB] and [C4mim][BOB], utilising H/D-isotopic substitution within the imidazolium cations combined with anions containing 11B to eliminate high sample absorption due to neutron capture by 10B and generate optimal quality data from the experiments for analysis. The objective of these studies is to verify that co-planar ?-type association can be observed in [C1mim][BOB] and that this decreases, being replaced by increasing hydrogen-bonding, on lengthening the alkyl-substituent of the cation ([C4mim][BOB]). These results will test the AIMD simulations of the system and either support or disprove the original proposition from Angell and co-workers that directional (HB) and van der Waals rather than Coulomb interactions determine the characteristics of orthoborate ionic liquids.

Local Contact: Dr Terri-Louise Hughes
Experimenter: Dr Sarah Youngs
Experimenter: Professor John Holbrey
Experimenter: Professor Gosia Swadzba-Kwasny
Experimenter: Dr Daniel Bowron
Experimenter: Ms Lauren O?Neill
Experimenter: Mr Haris Amir
Experimenter: Dr Sofia Diaz-Moreno
Experimenter: Miss Kerri McKeever

DOI: 10.5286/ISIS.E.RB2310074

ISIS Experiment Number: RB2310074

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 Terri-Louise Hughes et al; (2023): Examining the change from ?-? stacked to hydrogen-bonded interactions in 1-alkyl-3-methylimidazolium bis(oxalate)borate ionic liquids, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2310074

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