Vibrational Energy Transfer in a Water Chain

초록

Vibrational energy transfer through hydrogen bonding in water chains is a fast and efficient process. The chain consisting of 10 water molecules and a ground-state nitric oxide at the end is collisionally excited by another nitric oxide molecule with an excess vibrational energy corresponding to in the v = 1 state from the other end, where the energy transfer proceeds through the hydrogen bonds. Energy transfer from the impact site to the end of chain occurs in a picosecond time scale, taking a subpicosecond over single hydrogen bond. The energy transfer pathway is a sequence of the initial OH-stretching excitation on the impact to the OH bending overtone mode and then to the bound nitric oxide through a series of low-frequency intermolecular vibrational states. More than 80% of the initial OH-stretching excitation passes through the hydrogen bonds and deposits in the bound nitric oxide at the end of the chain. In the majority of trajectories, energy passing through the (NH)-H- horizontal ellipsis bond at the terminal site leads to its subsequent bond rupture, thus producing a vibrationally excited nitric oxide in the region remote from the initial impact site.

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