3.1 Dynamics of Condensed Phase Molecular Systems

Project coordinators: E. T. J. Nibbering, O. Kornilov

Phase 6 (2018-...): Ultrafast dynamics and interactions of interfacial water around phosphate groups and around hydrated protons

The people involved:
Jakob Schauss, Achintya Kundu, Fabian Dahms, Benjamin Fingerhut, Erik T. J. Nibbering, Thomas Elsaesser

National and international collaboration: Ehud Pines,
: Department of Chemistry, Ben Gurion University of the Negev, Beer-Sheva, 84105 Israel

 

Phase 6 (2018-....):

In the sixth period we aim to tackle with in-depth detail the dynamics and interactions of interfacial water around phosphate groups, as hydrated ions in solution or as key structural units in the sugar-phosphate backbones of DNA and RNA. We further explore the ultrafast dynamics of hydrated protons subject to various solution conditions.

6-1 Ultrafast dynamics of hydrated phosphate-counterion interactions
6-2 Ultrafast dynamics of hydrated excess protons

 

Ultrafast dynamics of hydrated phosphate-counterion interactions

1. RNA sugar-phosphate backbone vibrations as sensitive probes for hydration shell water molecules.

2. Role of counterions for the structure and dynamics of DNA and RNA polymers.

3. Probing ultrafast dynamics of phosphate-magnesium ion interactions.

Ultrafast dynamics of hydrated excess protons

4. Main structures proposed for hydrated proton species.

5. Proton transfer mode at 1150 cm-1 as marker mode of the Zundel cation H5O2+, prepared in acetonitrile solution.

6. 2D-IR spectroscopy of the proton transfer mode of the Zundel cation H5O2+ in CH3CN unequivocally demonstrates its potential double well character subject to extremely fast electric field-driven fluctuations and concomittant spectral diffusion and vibrational redistribution.

7. Comparison of 2D-IR spectra of the proton transfer mode of the Zundel cation H5O2+ in H2O and in CH3CN shows the dominant role of the Zundel cation in aqueous solution.

 

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