Project B11

Title: Structural correlations in liquid Coulomb systems
Project leader: Prof. Dr. Ralf Ludwig
Prof. Dr. Oliver Kühn
Prof. Dr. Stefan Lochbrunner
Abstract:

In this project correlated structural fluctuations and collective behavior in liquid Coulomb systems are investigated. Ionic liquids and their mixtures with solvents are chosen as model systems. The macroscopic properties of this class of this scientifically and technologically interesting material are influenced by structural correlations at molecular level and short time scales. The Coulomb systems are studied by classical and quantum molecular dynamics simulations as well as nonlinear optical experiments.

Publications:
2013
  • Ultrafast CARS with improved spectral resolution

    Lütgens M., Chatzipapadopoulos S., Lochbrunner S.
    Proceedings of the XVIIIth International Conference on Ultrafast Phenomena, Band 41, Seiten 05007, EPJ Web of Conferences, Editor: Chergui M., Taylor A., Cundiff S., de Vivie-Riedle R., Yamagouchi K. (2013)

2012
  • Microheterogeneities in Ionic-Liquid-Methanol Solutions Studied by FTIR Spectroscopy, DFT Calculations and Molecular Dynamics Simulations

    Appelhagen, A., Roth C., Jobst, N., Ludwig, R.
    Chem. Phys. Chem. 13:1708-1717, 2012

    Article online
  • Low-Frequency Vibrational Modes of Protic Molten Salts and Ionic Liquids: Detecting and Quantifying Hydrogen Bonds

    Fumino K., Reichert E., Wittler K., Hempelmann R., Ludwig R.
    Angew. Chem. Int. Ed. 51:6236-6240, 2012

    Article online
  • The anion dependence of the interaction strength between ions in imidazolium-based ionic liquids probed by far infrared spectroscopy

    Fumino K., Wittler K., Ludwig R.
    J. Phys. Chem. B 116:9507-9511, 2012

    Article online
  • The Effect of Neutral Ion Aggregate Formation on the Electrical Conductivity of an Ionic Liquid and its Mixtures with Chloroform

    Köddermann T., Paschek D., Klembt S., Kragl U., Klasen D., Ludwig R.
    Chem. Phys. Chem. 13:1748-1752, 2012

    Article online
  • Coherent anti-Stokes Raman scattering with broadband excitation and narrowband probe

    Lütgens M., Chatzipapadopoulos S., Lochbrunner S.
    Opt. Express 20:6478, 2012

  • Hydrogen bonding in ionic liquids probed by linear and nonlinear vibrational spectroscopy

    Roth C., Chatzipapadopoulos S., Kerlé D., Friedriszik F., Lütgens M., Lochbrunner S., Kühn O., Ludwig R.
    New Journal of Physics 14:105026, 2012

    Article online
  • Ionic liquids can be more hydrophic than chloroform or benzene (Inside Cover)

    Roth C., Rose A., Ludwig R.
    Chem. Phys. Chem. 13:3102-3105, 2012

    Article online
  • Structure-Property Relationships in Ionic Liquids: A Study of the Anion Dependence in Vaporization Enthalpies of Imidazolium-Based Ionic Liquids

    Zaitsau D. H. , Yermalayeu A. V., Fumino K., Ludwig R., Emal'yanenko V.N., Verevkin S. P.
    Chem. Phys. Chem. 16:1868-1876, 2012

    Article online
2011
  • The influence of hydrogen bonding on the physical properties of ionic liquids

    Fumino K., Peppel T., Geppert-Rybczynska M., Zeitsau D. H., Lehmann J. K., Verevkin S. P., Köckerling M., Ludwig R.
    Phys. Chem. Chem. Phys. 13:14064-14075, 2011

    Article online
  • Charge and Energy Transfer Dynamics in Molecular Systems

    May Volkhard, Kühn, Oliver
    Third, Revised and Enlarged Edition, Seiten 562, Wiley-VCH, ISBN: 978-3-527-40732-3 (2011)

    Article online
  • The Influence of Hydrogen-Bond Defects on the Properties of Ionic Liquids

    Peppel T., Roth C., Fumino K., Paschek D., Köckerling M., Ludwig R.
    Angew. Chem. Int. Ed. 50:6661-6665, 2011

    Article online
  • Comment on ?Isotope effects in liquid water by infrared spectroscopy. IV. No free OH groups in liquid water? [J. Chem. Phys. 133, 164509 (2010)]

    Riemenschneider J., Ludwig R.
    J. Chem. Phys. 135:117101, 2011

    Article online
  • Limiting diffusion coefficients of ionic liquids in water and methanol: A combined experimental and molecular dynamics study

    Schmidt E., Ludwig R., Heintz A.
    Phys. Chem. Chem. Phys. 13:3268-32-73, 2011

    Article online
2010
  • Combined THz, FIR and Raman spectroscopy studies of imidazoliumbased ionic liquids covering the frequency range between 2 and 300 cm-1.

    Fumino K., Wulf A., Taday P.F., Ludwig R.
    Chem. Phys. Chem. 11:349-353, 2010

    Article online
  • Comment on New Interpretation of the CH Stretching vibrations in Imidazolium-Based Ionic Liquids

    Fumino K., Wulf A., Ludwig R.
    J. Phys. Chem. A 114:685-686, 2010

    Article online
  • Estimating enthalpies of vaporization of imidazolium-based ionic liquids from far infrared measurements. (Inside Cover)

    Fumino K., Wulf A., Verevkin S. P. , Heintz A., Ludwig R.
    Chem. Phys. Chem. 11:1623-1626, 2010

    Article online
  • Predicting enthalpies of vaporization of imidazolium-based Ionic Liquids from far infrared spectra.

    Fumino K., Wulf A., Verevkin S. P., Heintz A., Ludwig R.

  • The importance of H-bonds for the structure of ionic liquids studied by single crystal X-ray diffraction, transmission and attenuated total reflection spectroscopy in the terahertz region.

    Roth C., Peppel T., Fumino K., Köckerling M., Ludwig R.
    Angew. Chem. Int. Ed. 49:10221-10224, 2010

    Article online
  • Spectroscopic Evidence for an Enhanced Anion-Cation Interaction from Hydrogen Bonding in Pure Imidazolium Ionic Liquids. (Inside Cover)

    Wulf A., Fumino K., Ludwig R.
    Angew. Chemie 49:449-453, 2010

    Article online
  • Spectroscopic evidence for an enhanced anion-cationic interaction due to hydrogen bonding in ionic liquids.

    Wulf A., Fumino K., Ludwig R.

  • Spectroscopic evidence for an enhanced anion-cation interaction due to hydrogen bonding in pure imidazolium-based ionic liquids.

    Wulf A., Fumino K., Ludwig R.

2009
  • On the Temperature Dependence of the Solubility of Carbon Dioxide in Imidazolium-based Ionic Liquids.

    Kerlé D., Geiger A., Ludwig R., Paschek D.
    J. Phys. Chem. B 113:12727-12735, 2009

    Article online
  • A Simple Geometrical Explanation for the Occurrence of Specific Large Aggregated Ions in Some Protic Ionic Liquids.

    Ludwig R.
    J. Phys. Chem. B 113:15419-15422, 2009

    Article online