TY  - JOUR
AU  - Zalden, Peter
AU  - Song, Liwei
AU  - Wu, Xiaojun
AU  - Huang, Haoyu
AU  - Ahr, Frederike
AU  - Mücke, Oliver D.
AU  - Reichert, Joscha
AU  - Thorwart, Michael
AU  - Mishra, Pankaj Kr.
AU  - Welsch, Ralph
AU  - Santra, Robin
AU  - Kärtner, Franz X.
AU  - Bressler, Christian
TI  - Molecular polarizability anisotropy of liquid water revealed by terahertz-induced transient orientation
JO  - Nature Communications
VL  - 9
IS  - 1
SN  - 2041-1723
CY  - London
PB  - Nature Publishing Group
M1  - PUBDB-2018-02152
SP  - 2142
PY  - 2018
AB  - 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.
LB  - PUB:(DE-HGF)16
C6  - pmid:29849173
UR  - <Go to ISI:>//WOS:000433542300002
DO  - DOI:10.1038/s41467-018-04481-5
UR  - https://bib-pubdb1.desy.de/record/405414
ER  -