Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water

@article{Fecko2003UltrafastHD,
  title={Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water},
  author={Christopher J. Fecko and Joel D. Eaves and Joseph J. Loparo and Andrei Tokmakoff and Phillip L. Geissler},
  journal={Science},
  year={2003},
  volume={301},
  pages={1698 - 1702}
}
We investigated rearrangements of the hydrogen-bond network in water by measuring fluctuations in the OH-stretching frequency of HOD in liquid D2O with femtosecond infrared spectroscopy. Using simulations of an atomistic model of water, we relate these frequency fluctuations to intermolecular dynamics. The model reveals that OH frequency shifts arise from changes in the molecular electric field that acts on the proton. At short times, vibrational dephasing reflects an underdamped oscillation of… 
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