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Formation of “Quasi” Contact or Solvent‐separated Ion Pairs in the Local Environment of Probe Molecules Dissolved in Ionic Liquids |
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| Authors: | Matthias Strauch Dr. Christian Roth Falk Kubatzki Prof. Dr. Ralf Ludwig |
| Affiliation: | 1. Universit?t Rostock, Institut für Chemie, Abteilung für Physikalische Chemie, Dr.‐Lorenz‐Weg 1, 18059 Rostock (Germany);2. Faculty of Interdisciplinary Research, Department ?Science and Technology of Life, Light and Matter“, University of Rostock, Rostock (Germany);3. Leibniz‐Institut für Katalyse an der Universit?t Rostock, Albert‐Einstein‐Strasse 29a, 18059 Rostock (Germany) |
| Abstract: | The change from “quasi” contact to “quasi” solvent‐separated ion‐pair configuration in the local environment of a probe molecule in ionic liquids depends on the varying interaction strength of the chosen anions. The ion speciation in these Coulomb fluids could be shown by combining infrared spectroscopy, density functional theory calculations, and natural bond orbital analysis using a low‐self‐clustering probe molecule. |
| Keywords: | configuration density functional theory infrared spectroscopy ion pairs ionic liquids |