Tunnelling in Water Clusters
We have developed a ring-polymer instanton theory for studying the complex dynamics of quantum molecular systems. The spectroscopy of water clusters allows chemists to study the intermolecular forces between water molecules in great detail and to probe the breaking and forming of hydrogen bonds.
Water hexamer
A combined theoretical and experimental study of tunnelling in the water hexamer prism shows that water molecules are able to move cooperatively to break two hydrogen bonds simultaneously. The theoretical study was carried out using ring-polymer instanton theory, a novel method developed by us, for studying the complex dynamics of quantum molecular systems. The spectroscopy of water clusters allows chemists to study the intermolecular forces between water molecules in great detail and to probe the breaking and forming of hydrogen bonds.
Use the following link for free access to the article:
This is the author's version of the work. It is posted here by permission of the AAAS for personal use, not for redistribution. The definitive version was published in Science, 351 on 18 Mar 2016, external pageDOI: 10.1126/science.aae0012
Press coverage
- Water hydrogen bonds tunnel in tandem, external pageChemistry World
- Double hydrogen bond rearrangement identified in water cluster, external pageChemical & Engineering News
See also the associated perspective
Quantum dynamics in the smallest water droplet, David C. Clary, Science 351, 1267 (2016). external pageDOI: 10.1126/science.aaf3061