title: Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond.
abstract: Three different imidazolium-based ionic liquids, 1,3-dimethylimidazolium chloride, 1-ethyl-3-methylimidazolium thiocyanate, and 1-ethyl-3-methylimidazolium dicyanamide, are investigated by Car-Parrinello simulations. A common behavior, such as a broad electric dipole moment distribution of the ions and a related high degree of locality, is found to characterize all these systems. Going beyond imidazolium-based systems, we found that even for the protic ionic liquid monomethyl ammonium nitrate, the same features hold. These results represent a strong support to the hypothesis of rattling ions in long-living ion cages proposed in the last years.
authors.affiliation: Max-Planck-Institut für Polymerforschung , Ackermannweg 10, D-55128 Mainz, Germany.
authors.forename: Katharina
authors.initials: K
authors.lastname: Wendler
authors.affiliation: Universität Leipzig , Linnéstraße 2, D-04103 Leipzig, Germany.
authors.forename: Stefan
authors.initials: S
authors.lastname: Zahn
authors.affiliation: Institut für Computerphysik, Universität Stuttgart , Pfaffenwaldring 27, D-70569 Stuttgart, Germany.
authors.forename: Florian
authors.initials: F
authors.lastname: Dommert
authors.affiliation: Clemens-Schöpf-Institut, Technische Universität Darmstadt , Petersenstrasse 22, D-64287 Darmstadt, Germany.
authors.forename: Robert
authors.initials: R
authors.lastname: Berger
authors.affiliation: Institut für Computerphysik, Universität Stuttgart , Pfaffenwaldring 27, D-70569 Stuttgart, Germany.
authors.forename: Christian
authors.initials: C
authors.lastname: Holm
authors.affiliation: Universität Leipzig , Linnéstraße 2, D-04103 Leipzig, Germany.
authors.forename: Barbara
authors.initials: B
authors.lastname: Kirchner
authors.affiliation: Max-Planck-Institut für Polymerforschung , Ackermannweg 10, D-55128 Mainz, Germany.
authors.forename: Luigi
authors.initials: L
authors.lastname: Delle Site