starke Wasserstoffbrücken

This project is aimed at characterizing the structure and ultrafast dynamics of model systems containing strong hydrogen bonds. The hydrogen bond interaction is key to understanding the structure and properties of water, biomolecules, self-assembled nanostructures and molecular crystals. However, much confusion remains about its electronic nature, a combination of van der Waals, electrostatic and covalent contributions, leading to a wide variety of hydrogen bonds with bond strengths ranging from 2 to 40 kcal/mol (a 20-fold range!). In particular, our understanding of strong, low-barrier hydrogen bonds and their central role in enzyme catalysis, biomolecular recognition, proton transfer across biomembranes and proton transport in aqueous media remains sketchy.

aktuelle Publikationen

  • Deconstructing Prominent Bands in the Terahertz Spectra of H7O3+ and H9O4+: Intermolecular Modes in Eigen Clusters
    T.K. Esser, H. Knorke, K.R. Asmis, W. Schöllkopf, Q. Yu, C. Qu, J.M. Bowman, M. Kaledin
    J. Phys. Chem. Lett. 9 798−803 (2018).DOI: 10.1021/acs.jpclett.7b03395
  • Gas Phase Vibrational Spectroscopy of the Protonated Water Pentamer: The Role of Isomers and Nuclear Quantum Effects

    M.R. Fagiani, H. Knorke, T. Esser, N. Heine, C.T. Wolke, S. Gewinner, W. Schöllkopf, M.-P. Gaigeot, R. Spezia, M.A. Johnson, K.R. Asmis
    Phys. Chem. Chem. Phys. 18 26743-54 (2016) DOI: 10.1039/C6CP05217G

  • Disentangling the Contribution of Multiple Isomers to the Infrared Spectrum of the Protonated Water Heptamer
    N. Heine, M.R. Fagiani, K.R. Asmis
    J. Phys. Chem. Lett. 6 2298-304 (2015) DOI: 10.1021/acs.jpclett.5b00879


  • Spectroscopic snapshots of the proton transfer mechanism in water
    C.T. Wolke, J.A. Fournier, L.C. Dzugan, M.R. Fagiani, T.T. Odbadrakh, H. Knorke, K.D. Jordan, A.B. McCoy, K. R. Asmis, M.A. Johnson
    Science 354 1131-5  (2016) DOI: 10.1126/science.aaf8425 
    German press release   YouTube video   Perspective

  • Site-specific spectral signatures of water molecules in the “magic” H3O+(H2O)20 and Cs+(H2O)20 clusters in the regions of the OH(D) stretches and low frequency librations (215-1000 cm-1)
    J.A. Fournier, C.T. Wolke, C.J. Johnson, M.A. Johnson, N. Heine, S. Gewinner, W. Schöllkopf, T.K. Esser, M.R. Fagiani, H. Knorke, K.R. Asmis,
    PNAS 111  18132–7 (2014) DOI: 10.1073/pnas.1420734111

  • Isomer-Selective Detection of Hydrogen-Bond Vibrations in the Protonated Water Hexamer
    N. Heine, M.R. Fagiani, M. Rossi, T. Wende, G. Berden, V. Blum, K.R. Asmis
    J. Am. Chem. Soc. 135 8266–73 (2013) DOI: 10.1021/ja401359t

  • Mid- and Far-IR Spectra of H5+ and D5+ Compared to the Predictions of Anharmonic Theory
    T.C. Cheng, L. Jiang, K.R. Asmis, Y. Wang, J.M. Bowman, A.M. Ricks, M.A. Duncan
    J. Phys. Chem. Lett.  3 3160-6 (2012) DOI: 10.1021/jz301276f

  • Gas Phase Infrared Spectroscopy and Multidimensional Calculations of the Protonated Ammonia Dimer N2H7+
    K.R. Asmis, Y. Yang, G. Santambrogio, M. Brümmer, L.R. McCunn, M.A. Johnson
    Angew. Chem. Int. Ed. 46 8691-4 (2007) DOI: 10.1002/anie.200702607

  • The Gas-Phase Infrared Spectrum of the Protonated Water Dimer
    K.R. Asmis, N.L. Pivonka, G. Santambrogio, M. Brümmer, C. Kaposta, D.M. Neumark, L. Wöste
    Science 299 1375-7 (2003) DOI: 10.1126/science.1081634


  • Cryogenic Ion Trap Vibrational Spectroscopy of Hydrogen-Bonded Clusters Relevant to Atmospheric Chemistry
    N. Heine and K.R. Asmis
    Int. Rev. Phys. Chem.
     34 1-34 (2015) DOI: 10.1080/0144235X.2014.979659
    Corrigendium:  35 507 (2016) DOI: 10.1080/0144235X.2016.1203533

  • Gas Phase Vibrational Spectroscopy of Strong Hydrogen Bonds
    K.R. Asmis, D.M. Neumark, J.M. Bowman
    pp. 53-78, Chapter 3 in Physical and Chemical Aspects I-III edited by J.T. Hynes, J.P. Klinman, H.-H. Limbach, R.L. Schowen; Vol. 1 of Hydrogen Transfer Reactions, edited by J.T. Hynes, J.P. Klinman, H.-H. Limbach, R.L. Schowen (Wiley-VCH, Weinheim, Germany, 2007), ISBN 978-3-527-30777-7.
letzte Änderung: 09.04.2019

Arbeitskreis Asmis


Leiter des Arbeitskreises
Prof. Dr. Knut R. Asmis
Raum TA 436
Linnéstr. 3
D-04103 Leipzig

Telefon: 0341-97 36421

Frau Kerstin Schleinitz

Telefon: 0341 97-36500
Telefax: 0341 97-36399

Universität Leipzig
Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie
Linnéstr. 2
D-04103 Leipzig