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

Journal article


Publication Details

Author(s): Cremer T, Kolbeck C, Lovelock K, Paape N, Woelfel R, Schulz P, Wasserscheid P, Weber H, Thar J, Kirchner B, Maier F, Steinrück HP
Journal: Chemistry - A European Journal
Publisher: Wiley-VCH Verlag
Publication year: 2010
Volume: 16
Journal issue: 30
Pages range: 9018-9033
ISSN: 0947-6539


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.



FAU Authors / FAU Editors

Cremer, Till Dr.
Lehrstuhl für Physikalische Chemie II
Kolbeck, Claudia Dr.
Lehrstuhl für Physikalische Chemie II
Maier, Florian Dr.
Lehrstuhl für Physikalische Chemie II
Schulz, Peter Dr.
Lehrstuhl für Chemische Reaktionstechnik
Steinrück, Hans-Peter Prof. Dr.
Lehrstuhl für Physikalische Chemie II
Wasserscheid, Peter Prof. Dr.
Lehrstuhl für Chemische Reaktionstechnik
Woelfel, Rene
Lehrstuhl für Chemische Reaktionstechnik


Additional Organisation
Exzellenz-Cluster Engineering of Advanced Materials


External institutions with authors

Universität Leipzig


Research Fields

D Catalytic Materials
Exzellenz-Cluster Engineering of Advanced Materials


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://dx.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.

BibTeX: 

Last updated on 2019-13-04 at 21:51