Vibrational spectroscopy of the hydrogen bonds in DNA base pairs |
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| Oliver Kühn | |
| Universität Rostock | |
| In the first part of this presentation the infrared spectrum of the hydrogen-bonded stretching vibrations of DNA base pairs in solution is studied by means of classical trajectory simulations using a quantum mechanics/molecular mechanics approach. The origin of the lineshape is shown to find its explanation in terms of frequency-geometry relations. Going from isolated base pairs to DNA oligomers it is further shown how ultrafast infrared spectroscopy can be used to unravel correlated vibrational motions across the hydrogen bonds. |