DOI > 10.5291/ILL-DATA.8-03-779

This proposal is publicly available since 11/28/2017

Title

Ion-Ion pairing in aqueous solutions of imidazolium chloride

Abstract

The structure factors of aqueous (D2O) solutions of 3m d-5 imidazolium chloride, 3m imidazolium chloride (natural abundance) and an equimolar mixture of the previous two solutions will be measured. Similar sets of three measurements will be performed on a 3m imidazole solution and a mixture of 1.5m imidazole and 1.5m imidazolium chloride. From these measurements the function SHnonHnon(Q) and gHnonHnon(r) (where Hnon are the non-exchangeable hydrogens) containing information on the ion-ion structure will be determined. This will provide the first structural data on the imidazolium-imidazolium ion pairing, and how this varies with the protonation state of this species. Given the importance of the imidazole motif in the side-chain of the amino-acid histidine, and its common occurance in the active sites of enzymes, this study will be of significant importance.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

JUNGWIRTH Pavel; Henry E. Fischer; HLADILKOVA Jana and MASON Philip. (2012). Ion-Ion pairing in aqueous solutions of imidazolium chloride. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.8-03-779

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Metadata

Experiment Parameters

  • Environment temperature

    ambient
  • Experiment energy

    0.7 A
  • Experiment moment

    0.2< Q Angs(-1)<1
  • Experiment res moment

    DQ/Q < 0.05

Sample Parameters

  • Formula

    • C3N2H5Cl and C3N2H4 (H/D) in D2O
  • Consistence

    solution
  • Mass

    1000
  • Size

    1ml
  • Surface

    6mm diameter tube