Journal Article

PUBDB-2018-02152

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Molecular polarizability anisotropy of liquid water revealed by terahertz-induced transient orientation

Zalden, P. (Corresponding author)XFEL.EU* ; Song, L.CFEL*DESY* ; Wu, X. ; Huang, H.CFEL* ; Ahr, F.CFEL*CSSB* ; Mücke, O. D.CFEL*DESY* ; Reichert, J. ; Thorwart, M. ; Mishra, P. K. ; Welsch, R.CFEL*DESY* ; Santra, R.CFEL*DESY* ; Kärtner, F. X.CFEL*Extern*DESY* ; Bressler, C.

2018
Nature Publishing Group London

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Please use a persistent id in citations: doi:10.1038/s41467-018-04481-5  doi:10.3204/PUBDB-2018-02152

Abstract: Reaction pathways of biochemical processes are influenced by the dissipative electrostatic interaction of the reagents with solvent water molecules. The simulation of these interactions requires a parametrization of the permanent and induced dipole moments. However, the underlying molecular polarizability of water and its dependence on ions are partially unknown. Here, we apply intense terahertz pulses to liquid water, whose oscillations match the timescale of orientational relaxation. Using a combination of terahertz pump / optical probe experiments, molecular dynamics simulations, and a Langevin dynamics model, we demonstrate a transient orientation of their dipole moments, not possible by optical excitation. The resulting birefringence reveals that the polarizability of water is lower along its dipole moment than the average value perpendicular to it. This anisotropy, also observed in heavy water and alcohols, increases with the concentration of sodium iodide dissolved in water. Our results enable a more accurate parametrization and a benchmarking of existing and future water models.

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Contributing Institute(s):

1. FS-CFEL-3 (CFEL-DESYT)
2. CFEL-Theory (FS-CFEL-3)
3. Ultrafast Lasers & X-rays Division (FS-CFEL-2)
4. FS-CFEL-2 (CFEL-UFOX)
5. beauftragt von UNI (UNI/CUI)
6. European XFEL Projekt Team (Eur.XFEL)

Research Program(s):

1. 6211 - Extreme States of Matter: From Cold Ions to Hot Plasmas (POF3-621) (POF3-621)
2. DFG project 281310551 - SOLSTICE - Festkörper in starken terahertz und infrarotenTräger-Einhüllende phasenstabilen Wellenformen (281310551) (281310551)
3. CUI - Hamburger Zentrum für ultraschnelle Beobachtung (194651731) (194651731)

Experiment(s):

1. No specific instrument

Appears in the scientific report 2018

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Database coverage:
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