Cluster Formation through Hydrogen Bond Bridges across Chloride Anions in a Hydroxyl-Functionalized Ionic Liquid |
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| Authors: | Dr Sumit Kumar Panja Dr Boumediene Haddad Dr Mansour Debdab Prof Dr Johannes Kiefer Dr Yassine Chaker Dr Serge Bresson Dr Annalisa Paolone |
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| Institution: | 1. Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore, 560012, Karnataka India;2. Department of Chemistry, Dr Moulay Tahar University of Saida, Algeria;3. Laboratoire de Synthèse et Catalyse Tiaret LSCT, University of Tiaret, Algeria;4. Technische Thermodynamik, Universität Bremen, Badgasteiner Str. 1, 28359 Bremen, Germany;5. Laboratoire de Physique des Systèmes Complexes, Université Picardie Jules Verne, 33 rue St Leu, 80039 Amiens cedex, France;6. Consiglio Nazionale delle Ricerche Instituto dei Sistemi Complessi (CNR-ISC), University of Rome La Sapienza, Piazzale A. Moro 5, 00185 Roma, Italy |
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| 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 C2OHmimCl 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. |
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| Keywords: | cluster formation density functional calculations H-bonding interactions ionic liquids ion pairs |
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