Deuteron quadrupole coupling constants and rotational correlation times of N-D and O-D bonds involved in doubly ionic hydrogen bonds in ionic liquids and their mixtures by means of NMR liquid and solid state experiments

• Applicant: Professor Dr. Ralf Ludwig
• Subject Area: Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry
• Term: from 2018 to 2021
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 401427621

• Final Report Year: 2022

No abstract available

Publications

• Dynamical Heterogeneities in Ionic Liquids as Revealed from Deuteron NMR, Chem. Commun., 54, 3098-3101, 2018
  Khudozhitkov, Alexander E.; Stange, Peter; Bonsa, Anne-Marie; Overbeck, Viviane; Appelhagen, Andreas; Stepanov, Alexander G.; Kolokolov, Daniil I.; Paschek, Dietmar & Ludwig, Ralf
  
• Hydrogen Bonding in Protic Ionic Liquids: Structural Correlations, Vibrational Spectroscopy, and Rotational Dynamics of Liquid Ethylammonium Nitrate, J. Phys. B: At. Mol. Opt. Phys., 51, 034002, 2018
  Zentel, Tobias; Overbeck, Viviane; Michalik, Dirk; Kühn, Oliver & Ludwig, Ralf
  
• The Influence of Like-Charge Attraction on the Structure and Dynamics of Ionic Liquids: NMR Chemical Shifts, Quadrupole Coupling Constants, Rotational Correlation Times and Failure of Stokes-Einstein-Debye, Phys. Chem. Chem. Phys., 20, 5617–5625, 2018
  Strate, Anne; Overbeck, Viviane; Lehde, Viktoria; Neumann, Jan; Bonsa, Anne-Marie; Niemann, Thomas; Paschek, Dietmar; Michalik, Dirk & Ludwig, Ralf
  
• Hydrogen Bonding Between Ions of Like Charge in Ionic Liquids Characterized by NMR Deuteron Quadrupole Coupling Constants - Comparison with Salt Bridges and Molecular Systems, Angew. Chem., 131, 18027-18035, 2019; Angew. Chem. Int. Ed., 58, 17863-17871, 2019
  Khudozhitkov, Alexander E.; Neumann, Jan; Niemann, Thomas; Zaitsau, Dzmitry; Stange, Peter; Paschek, Dietmar; Stepanov, Alexander G.; Kolokolov, Daniil I. & Ludwig, Ralf
  
• Simultaneous Determination of Deuteron Quadrupole Coupling Constants and Rotational Correlation Times: The Model Case of Hydrogen Bonded Ionic Liquids, Phys. Chem. Chem. Phys., 21, 25597-25605, 2019
  Khudozhitkov, A. E.; Overbeck, V.; Stange, P.; Strate, A.; Zaitsau, D.; Appelhagen, A.; Michalik, D.; Stepanov, A. G.; Kolokolov, D. I.; Paschek, D. & Ludwig, R.
  
• Probing Relaxation Models by Means of Fast Field-Cycling Relaxometry, NMR Spectroscopy and Molecular Dynamics Simulations: Detailed Insight Into the Translational and Rotational Dynamics of a Protic Ionic Liquid, J. Mol. Liq., 319, 114207, 2020
  Overbeck, Viviane; Golub, Benjamin; Schröder, Henning; Appelhagen, Andreas; Paschek, Dietmar; Neymeyr, Klaus & Ludwig, Ralf
  
• Insights into the Translational and Rotational Dynamics of Cations and Anions in Protic Ionic Liquids by Means of NMR Fast-field-cycling Relaxometry, Phys. Chem. Chem. Phys., 23(4), 2663-2675, 2021
  Overbeck, Viviane; Schröder, Henning; Bonsa, Anne-Marie; Neymeyr, Klaus & Ludwig, Ralf
  
• Rotational Correlation Times, Diffusion Coefficients and Quadrupolar Peaks of the Protic Ionic Liquid Ethylammonium Nitrate by Means of 1H Fast Field Cycling NMR Relaxometry, J. Mol. Liq., 322, 114983, 2021
  Overbeck, Viviane; Appelhagen, Andreas; Rößler, Ronja; Niemann, Thomas & Ludwig, Ralf