116 citations · 158 across the 5 of their papers we have counts for
6 papers
Structure, hydrogen bond dynamics and phase transition in a prototypical ionic liquid electrolyte
Alexander E. Khudozhitkov, Peter Stange, Alexander G. Stepanov +2
Ionic liquids (ILs) gain much interest as possible electrolytes in the next generation of mixed-solid Li-ion batteries. However, such properties of ionic liquids as melting transit…
Revisiting Imidazolium Based Ionic Liquids: Effect of the Conformation Bias of the [NTf] Anion Studied By Molecular Dynamics Simulations
Benjamin Golub, Jan Neumann, Lisa-Marie Odebrecht +2
We study ionic liquids composed 1-alkyl-3-methylimidazolium cations and bis(trifluoromethyl-sulfonyl)imide anions ([CMIm][NTf]) with varying chain-length …
Hydrogen Bonding in Protic Ionic Liquids: Structural Correlations, Vibrational Spectroscopy, and Rotational Dynamics of Liquid Ethylammonium Nitrate
Tobias Zentel, Viviane Overbeck, Dirk Michalik +2
The properties of the hydrogen bonds in ethylammonium nitrate are analyzed by using molecular dynamics simulations and infrared as well as nuclear magnetic resonance experiments. E…
A Simple Guiding Principle for the Temperature Dependence of the Solubility of Light Gases in Imidazolium-based Ionic Liquids Derived from Molecular Simulations
Daniela Kerlé, Majid Namayandeh Jorabchi, Ralf Ludwig +2
We have determined the temperature dependence of the solvation behavior of a large collection of light gases in imidazolium-based Ionic Liquids (ILs) with the help of extensive mol…
Hydrogen Bonding in Ionic Liquids Probed by Linear and Nonlinear Vibrational Spectroscopy
C. Roth, S. Chatzipapadopoulos, D. Kerlé +5
Three imidazolium-based ionic liquids of the type [Cnmim][NTf2] with varying alkyl chain lengths (n = 1, 2 and 8) at the 1 position of the imidazolium ring were studied applying IR…
The Solvophobic Solvation and Interaction of Small Apolar Particles in Imidazolium-Based Ionic Liquids is Characterized by Enthalpy-/Entropy-Compensation
Dietmar Paschek, Thorsten Koeddermann, Ralf Ludwig
We report results of molecular dynamics simulations characterizing the solvation and interaction of small apolar particles such as methane and Xenon in imidazolium-based ionic liqu…