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

Panja, Sumit Kumar and Haddad, Boumediene and Debdab, Mansour and Kiefer, Johannes and Chaker, Yassine and Bresson, Serge and Paolone, Annalisa (2019) Cluster Formation through Hydrogen Bond Bridges across Chloride Anions in a Hydroxyl-Functionalized Ionic Liquid. In: CHEMPHYSCHEM, 20 (7). pp. 936-940.

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Official URL: https://doi.org/10.1002/cphc.201801206


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.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to WILEY-V C H VERLAG GMBH.
Keywords: cluster formation; density functional calculations; H-bonding interactions; ionic liquids; ion pairs
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 22 May 2019 07:22
Last Modified: 22 May 2019 07:22
URI: http://eprints.iisc.ac.in/id/eprint/62698

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