Ionic liquids with hydrogenated and perfluorinated chains: Structural study of the [P6,6,6,14][FnCOO] n = 7, 9, 11. Checking the existence of polar – hydrogenated – perfluorinated triphilic continuity

Gonçalo M. C. Silva, Maria J. Beira, Pedro Morgado, Luís C. Branco, Pedro J. Sebastião, José N. Canongia Lopes, Eduardo J. M. Filipe

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5 Citations (Scopus)

Abstract

The existence of triphilic segregation and continuity between hydrogenated chains, perfluorinated chains and polar groups in a family of long chain fluorinated ionic liquids was assessed. Three new ionic liquids were synthesized, combining a long chain hydrogenated cation, [P6,6,6,14]+, with a long perfluorinated chain, [FnCOO]-, n = 7, 9, 11. The new Ionic Liquids were characterized and the liquid density and self-diffusion coefficients were measured. Experimental X-ray scattering and NMR relaxometry were also measured to obtain information on the organization of these complex liquids. The possibility of a new continuous fluorinated phase characterized by a unique X-ray diffraction peak was investigated in detail. Finally, atomistic molecular dynamics simulations were performed. Analysis of the MD results in conjunction with the new experimental data enable a detailed molecular level insight of the systems.

Original languageEnglish
Article number120506
Number of pages11
JournalJournal of Molecular Liquids
Volume367
DOIs
Publication statusPublished - 1 Dec 2022

Keywords

  • Fluorinated Ionic Liquids
  • MD simulations
  • NMR relaxometry
  • Segregation and continuity

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