ISIS Neutron and Muon Source Data Journal

Why is Choline Arginate the Best Performing Bio-IL for Biomass Pretreatment?

Abstract: The ionic liquid choline arginate [Ch][Arg] is more effective for coal pretreatment than other choline based amino acid ILs, but the underlying mechanism is unclear. Calculations to show that for gas phase R-OH•••[Arg][Ch], [Arg] adopts a closed (ring) conformation.The cation charge group associates closely with the anion charge centre, and the ring structure places the cation charge group is in close proximity to the hydrogen bond formed by the HBD and anion guanidine sp2 nitrogen. This leads to polarisation of the H-bond: the charge on partial negative atoms becomes more negative, and the partial positive charge of the proton increases, leading to strong H-bonds. In this work we will determine whether this gas phase conformation is present in pure liquid phase [Arg][Ch], in the presence of a model coal/biomass H-bond donor (guaiacol), and the effect of added water.

Principal Investigator: Professor Rob Atkin
Experimenter: Dr Silvia Imberti
Experimenter: Professor Greg Warr
Experimenter: Ms Haihui Joy Jiang
Experimenter: Dr Shurui Miao
Experimenter: Mr Manuel Brunner

DOI: 10.5286/ISIS.E.RB1810049

ISIS Experiment Number: RB1810049

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 Rob Atkin et al; (2018): Why is Choline Arginate the Best Performing Bio-IL for Biomass Pretreatment?, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1810049

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