EPJ Web of Conferences
Volume 41, 2013XVIIIth International Conference on Ultrafast Phenomena
|Number of page(s)||3|
|Section||Water, Hydrogen Bonding and Hydration|
|Published online||13 March 2013|
The rotation of NO3− as a probe of molecular ion - water interactions
1 Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Århus, Denmark
2 Department of Physics, Albanova, Rosslagstullbacken 21, Stockholm University, SE-106 91 Stockholm, Sweden
3 Institute of Physical Chemistry, University of Zürich, Winterthurerstrasse 190, CH-8057, Zürich, Switzerland
The hydration dynamics of aqueous nitrate, NO3−(aq), is studied by 2D-IR spectroscopy, UV-IR- and UV-UV transient absorption spectroscopy. The experimental results are compared to Car-Parinello molecular dynamics (MD) simulations. The 2D-IR measurements and MD simulations of the non-degenerate asymmetric stretch vibrations of nitrate reveal an intermodal energy exchange occurring on a 0.2 ps time scale related to hydrogen bond fluctuations. The transient absorption measurements find that the nitrate ions rotate in 2 ps. The MD simulations indicate that the ion rotation is associated with the formation of new hydrogen bonds. The 2 ps rotation time thus indicates that the hydration shell of aqueous nitrate is rather labile.
© Owned by the authors, published by EDP Sciences, 2013
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 2.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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