Towards a molecular understanding of cation-anion interactions-Probing the electronic structure of imidazolium ionic liquids by NMR spectroscopy, X-ray photoelectron spectroscopy and theoretical calculations

Cremer T, Kolbeck C, Lovelock K, Paape N, Woelfel R, Schulz P, Wasserscheid P, Weber H, Thar J, Kirchner B, Maier F, Steinrück HP (2010)

Publication Type: Journal article

Publication year: 2010

Journal

Chemistry - A European Journal Wiley-VCH Verlag

Original Authors: Cremer T., Kolbeck C., Lovelock K.R.J., Paape N., Wölfel R., Schulz P.S., Wasserscheid P., Weber H., Thar J., Kirchner B., Maier F., Steinrück H.-P.

Publisher: Wiley-VCH Verlag

Book Volume: 16

Pages Range: 9018-9033

Journal Issue: 30

DOI: 10.1002/chem.201001032

Abstract

Ten [CCIm] (1-methyl-3- octylimidazolium)-based ionic liquids with anions Cl, Br , I, [NO], [BF] , [TfO], [PF], [Tf N], [PfN], and [FAP] (TfO = trifluoromethylsulfonate, TfN = bis(trifluoromethylsulfonyl) imide, PfN = bis(pentafluoroethylsulfonyl)imide, FAP = tris-(pentafluoroethyl)trifluorophosphate) and two [CC CIm] (1,2-dimethyl-3-octylimidazolium)-based ionic liquids with anions Br and [TfN] were investigated by using X-ray photoelectron spectroscopy (XPS), NMR spectroscopy and theoretical calculations. WhileH NMR spectroscopy is found to probe very specifically the strongest hydrogen-bond interaction between the hydrogen attached to the C position and the anion, a comparative XPS study provides first direct experimental evidence for cation-anion charge-transfer phenomena in ionic liquids as a function of the ionic liquid's anion. These charge-transfer effects are found to be surprisingly similar for [CCIm] and [CCC Im] salts of the same anion, which in combination with theoretical calculations leads to the conclusion that hydrogen bonding and charge transfer occur independently from each other, but are both more pronounced for small and more strongly coordinating anions, and are greatly reduced in the case of large and weakly coordinating anions. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Authors with CRIS profile

Till Cremer Lehrstuhl für Physikalische Chemie II Claudia Kolbeck Lehrstuhl für Physikalische Chemie II Rene Woelfel Lehrstuhl für Chemische Reaktionstechnik (CRT) Peter Schulz Lehrstuhl für Chemische Reaktionstechnik (CRT) Peter Wasserscheid Lehrstuhl für Chemische Reaktionstechnik (CRT) Florian Maier Lehrstuhl für Physikalische Chemie II Hans-Peter Steinrück Lehrstuhl für Physikalische Chemie II

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials (EAM)

Involved external institutions

Universität Leipzig DE Germany (DE)

How to cite

APA:

Cremer, T., Kolbeck, C., Lovelock, K., Paape, N., Woelfel, R., Schulz, P.,... Steinrück, H.-P. (2010). Towards a molecular understanding of cation-anion interactions-Probing the electronic structure of imidazolium ionic liquids by NMR spectroscopy, X-ray photoelectron spectroscopy and theoretical calculations. Chemistry - A European Journal, 16(30), 9018-9033. https://doi.org/10.1002/chem.201001032

MLA:

Cremer, Till, et al. "Towards a molecular understanding of cation-anion interactions-Probing the electronic structure of imidazolium ionic liquids by NMR spectroscopy, X-ray photoelectron spectroscopy and theoretical calculations." Chemistry - A European Journal 16.30 (2010): 9018-9033.

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