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

Final Report Abstract

No abstract available

Publications

• Dynamical Heterogeneities in Ionic Liquids as Revealed from Deuteron NMR, Chem. Commun., 54, 3098-3101, 2018
  A. E. Khudozhitkov, P. Stange, A.-M. Bonsa, V. Overbeck, A. Appelhagen, A. G. Stepanov, D. I. Kolokolov, D. Paschek, R. Ludwig
  (See online at https://doi.org/10.1039/C7CC09440J)
• 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
  T. Zentel, V. Overbeck, D. Michalik, O. Kühn, R. Ludwig
  (See online at https://doi.org/10.1088/1361-6455/aa9a9e)
• 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
  A. Strate, V. Overbeck, V. Lehde, J. Neumann, A.-M. Bonsa, T. Niemann, D. Paschek, D. Michalik, R. Ludwig
  (See online at https://doi.org/10.1039/C7CP06454C)
• 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
  A. E. Khudozhitkov, J. Neumann, T. Niemann, D. Zaitsau, P. Stange, D. Paschek, A. G. Stepanov, D. I. Kolokolov, R. Ludwig
  (See online at https://doi.org/10.1002/ange.201912476 https://doi.org/10.1002/anie.201912476)
• 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
  A. E. Khudozhitkov, V. Overbeck, P. Stange, A. Strate, D. Zaitsau, A. Appelhagen, D. Michalik, A. G. Stepanov, D. I. Kolokolov, D. Paschek, R. Ludwig
  (See online at https://doi.org/10.1039/C9CP04983E)
• 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
  V. Overbeck, B. Golub, H. Schröder, A. Appelhagen, D. Paschek, K. Neymeyr, R. Ludwig
  (See online at https://doi.org/10.1016/j.molliq.2020.114207)
• 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
  V. Overbeck, H. Schröder, A.-M. Bonsa, K. Neymeyr, R. Ludwig
  (See online at https://doi.org/10.1039/D0CP05440B)
• 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
  V. Overbeck, A. Appelhagen, R. Rößler, T. Niemann, R. Ludwig
  (See online at https://doi.org/10.1016/j.molliq.2020.114983)