Cluster Formation through Hydrogen Bond Bridges across Chloride Anions in a Hydroxyl-Functionalized Ionic Liquid

Sumit Kumar Panja, Boumediene Haddad, Mansour Debdab, Johannes Kiefer*, Yassine Chaker, Serge Bresson, Annalisa Paolone

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

Several recent studies of hydroxyl-functionalized ionic liquids (ILs) have shown that cation-cation interactions can be dominating these materials at the molecular level when the anion involved is weakly interacting. The hydrogen bonds between the like ions led to the formation of interesting chain-like, ring-like, or distinct dimeric (i. e. two ion pairs) supermolecular clusters. In the present work, vibrational spectroscopy (ATR-IR and Raman) and density functional theory (DFT) calculations of the hydroxyl-functionalized imidazolium ionic liquid C(2)OHmimCl indicate that anion-cation hydrogen bonding interactions are dominating, leading to the formation of distinct dimeric ion pair clusters. In this arrangement, the Cl- anions function as a bridge between the cations by establishing bifurcated hydrogen bonds with the OH group of one cation and the C(2)-H of another cation. Cation-cation interactions, on the other hand, do not play a significant role in the observed clusters.

Original languageEnglish
Pages (from-to)936-940
Number of pages5
JournalChemPhysChem
Volume20
Issue number7
Early online date19 Mar 2019
DOIs
Publication statusPublished - 2 Apr 2019

Keywords

  • cluster formation
  • density functional calculations
  • H-bonding interactions
  • ionic liquids
  • ion pairs
  • ALKYL CHAIN-LENGTH
  • MOLECULAR-INTERACTIONS
  • RATIONAL DESIGN
  • CATION
  • DYNAMICS
  • CO2

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