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NMR Investigation of Imidazolium-Based Ionic Liquids and Their Aqueous Mixtures (Articolo in rivista)

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Label

NMR Investigation of Imidazolium-Based Ionic Liquids and Their Aqueous Mixtures (Articolo in rivista) (literal)

Anno

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Alternative label

Flaminia Cesare Marincola, Cristina Piras, Olga Russina, Lorenzo Gontrani, Giuseppe Saba, Adolfo Lai (2012)
NMR Investigation of Imidazolium-Based Ionic Liquids and Their Aqueous Mixtures
in ChemPhysChem (Print); WILEY-V C H VERLAG GMBH, WEINHEIM (Germania)
(literal)

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Flaminia Cesare Marincola, Cristina Piras, Olga Russina, Lorenzo Gontrani, Giuseppe Saba, Adolfo Lai (literal)

Pagina inizio

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Note

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Dipartimento di Scienze Chimiche, Cittadella Universitaria di Monserrato, Università degli Studi di Cagliari, S.S 554 (bivio per Sestu), 09042 Monserrato (CA) (Italy) Dipartimento di Chimica, Università di Roma, \"La Sapienza\", P. le Aldo Moro 5, 00185 Roma (Italy) CNR-Istituto di Struttura della Materia, Area della Ricerca di Roma Tor Vergata, Via Fosso del Cavaliere 100, 00133 Roma (Italy) (literal)

Titolo

NMR Investigation of Imidazolium-Based Ionic Liquids and Their Aqueous Mixtures (literal)

Abstract

1H and 13C NMR spectroscopy is employed to investigate the interaction of water with two imidazolium-based ionic liquids (ILs), 1-hexyl-3-methylimidazolium bromide ([C6mim]Br) and 1-octyl-3-methylimidazolium bromide ([C8mim]Br), at IL concentrations well above the critical aggregation concentration (CAC). The results are compared with those of the neat samples. To this aim, a detailed analysis of the changes in the 1H chemical shifts, 13C relaxation parameters, and 2D ROESY data due to the presence of water is performed. The results for both neat ILs are consistent with a packed structure where head-to-head, head-to-tail, and tail-to-tail contacts occur and where the site of maximal mobility restriction is at the polar head. At the lowest investigated water content, the presence of water influences mainly the environment around the IL polar head, slowing down the motional dynamics of the aromatic ring with respect to the alkyl chain. At higher water contents this difference diminishes, the motional freedom of the whole molecule increasing. The presence of ROESY cross-peaks between protons in the polar and apolar IL regions, as well as between protons in non-neighboring alkyl groups, at all investigated water contents suggests that the alkyl tails are not fully segregated in hydrophobic domains, as expected for micelle-like structures. (literal)

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