Structural properties of 1-alkyl-3-methylimidazolium bis{(trifluoromethyl) sulfonyl}amide ionic liquids: X-ray diffraction data and molecular dynamics simulations

Enrico Bodo*, Lorenzo Gontrani, Ruggero Caminiti, Natalia V. Plechkova, Kenneth R. Seddon, Alessandro Triolo

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

88 Citations (Scopus)

Abstract

X-ray diffraction data for 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}amides are reported as a function of the length of the alkyl chain on the imidazolium ring. The measured diffraction patterns have been compared with the theoretical patterns calculated (from the geometries obtained) with molecular dynamics simulations. This provides a detailed description (at the atomistic level) of the morphology in the liquid state of these salts, highlighting the role played by the alkyl chain length. An analysis of the behavior of the hydrogen bonds that are formed between the imidazolium acidic protons and the anion is presented.

Original languageEnglish
Pages (from-to)16398-16407
Number of pages10
JournalJournal of Physical Chemistry B
Volume114
Issue number49
DOIs
Publication statusPublished - 16 Dec 2010
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Materials Chemistry
  • Surfaces, Coatings and Films

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