Unraveling temperature dependent cis/trans-isomerisation in bis{(trifluoromethyl)sulfonyl}imide ionic liquids and molten salts

Neutron datasets from ISIS, RB 1310010

Abstract: Raman spectroscopy has identified differences in how the anion conformer populations of alkali metal bis{(trifluoromethyl)sulfonyl}imide molten salts (Li-Cs) and protic 1-H-3-methylimidazolium [Hmim][NTf2] ionic liquids evolve with temperature. In the alkali metal systems, the trans-anion population grows with temperature as anticipated, whereas protic imidazolium ionic liquids show an increase in the more constrained cis-conformer. The objective of this work is (i) to examine changes in the anion cis/trans populations with temperature in thetwo systems in order to compare with, and ideally validate, results obtained from Raman spectroscopy data,and (ii) to generate an atomistic (ionic) description of differences in liquid structure, and subsequently cation-anion interaction modes present, with different types of cation.

Public release date: 30 October 2016

Principal Investigator: Professor John Holbrey

Experimenter: Mr Adam Turner

Experimenter: Dr Vassileios Dracopoulos

Experimenter: Ms Jade McCune

Experimenter: Dr Gosia Swadzba-Kwasny

Experimenter: Dr Sarah Norman

Experimenter: Ms Caithlin White

Experimenter: Dr Fergal Coleman

DOI: 10.5286/ISIS.E.24091103

ISIS Experiment Number: RB1310010

Part Number: 1 - SANDALS

Date of Experiment: 19 October 2013

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 John Holbrey et al; (2013): Unraveling temperature dependent cis/trans-isomerisation in bis{(trifluoromethyl)sulfonyl}imide ionic liquids and molten salts, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.24091103