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Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.

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Title: Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
Authors: Richardson, Jeremy O., Pérez, Cristóbal, Lobsiger, Simon, Reid, Adam A., Temelso, Berhane, Shields, George C., Kisiel, Zbigniew, Wales, David J., Pate, Brooks H., Althorpe, Stuart C.
Source: Science (pre-March 2025). 3/18/2016, Vol. 351 Issue 6279, p1310-1313. 4p.
Subjects: Hydrogen bonding, Quantum tunneling, Intermolecular forces, Water, Molecular clusters, Ice, Simulation methods & models
Abstract: The nature of the intermolecular forces between water molecules is the same in small hydrogen-bonded clusters as in the bulk. The rotational spectra of the clusters therefore give insight into the intermolecular forces present in liquid water and ice. The water hexamer is the smallest water cluster to support low-energy structures with branched three-dimensional hydrogen-bond networks, rather than cyclic two-dimensional topologies. Here we report measurements of splitting patterns in rotational transitions of the water hexamer prism, and we used quantum simulations to show that they result from geared and antigeared rotations of a pair of water molecules. Unlike previously reported tunneling motions in water clusters, the geared motion involves the concerted breaking of two hydrogen bonds. Similar types of motion may be feasible in interfacial and confined water. [ABSTRACT FROM AUTHOR]
Copyright of Science (pre-March 2025) is the property of American Association for the Advancement of Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Psychology and Behavioral Sciences Collection
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  Data: Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism.
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  Data: <searchLink fieldCode="JN" term="%22Science+%28pre-March+2025%29%22">Science (pre-March 2025)</searchLink>. 3/18/2016, Vol. 351 Issue 6279, p1310-1313. 4p.
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  Data: <searchLink fieldCode="DE" term="%22Hydrogen+bonding%22">Hydrogen bonding</searchLink><br /><searchLink fieldCode="DE" term="%22Quantum+tunneling%22">Quantum tunneling</searchLink><br /><searchLink fieldCode="DE" term="%22Intermolecular+forces%22">Intermolecular forces</searchLink><br /><searchLink fieldCode="DE" term="%22Water%22">Water</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+clusters%22">Molecular clusters</searchLink><br /><searchLink fieldCode="DE" term="%22Ice%22">Ice</searchLink><br /><searchLink fieldCode="DE" term="%22Simulation+methods+%26+models%22">Simulation methods & models</searchLink>
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  Data: The nature of the intermolecular forces between water molecules is the same in small hydrogen-bonded clusters as in the bulk. The rotational spectra of the clusters therefore give insight into the intermolecular forces present in liquid water and ice. The water hexamer is the smallest water cluster to support low-energy structures with branched three-dimensional hydrogen-bond networks, rather than cyclic two-dimensional topologies. Here we report measurements of splitting patterns in rotational transitions of the water hexamer prism, and we used quantum simulations to show that they result from geared and antigeared rotations of a pair of water molecules. Unlike previously reported tunneling motions in water clusters, the geared motion involves the concerted breaking of two hydrogen bonds. Similar types of motion may be feasible in interfacial and confined water. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of Science (pre-March 2025) is the property of American Association for the Advancement of Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=pbh&AN=113878517
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        Value: 10.1126/science.aae0012
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              Text: 3/18/2016
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