| Autor: |
Ogden T., Odelius M., Keiding S.R., Knak Jensen S., Nielsen J.B., Thøgersen J., Réhault J., Helbing J. |
| Jazyk: |
angličtina |
| Rok vydání: |
2013 |
| Předmět: |
|
| Zdroj: |
EPJ Web of Conferences, Vol 41, p 06002 (2013) |
| Druh dokumentu: |
article |
| ISSN: |
2100-014X |
| DOI: |
10.1051/epjconf/20134106002 |
| Popis: |
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. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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