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Updated: Jul 19, 2026
08:46
Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity
Published on: January 15, 2014
A blind structure prediction of ice XIV
Gareth A Tribello1, Ben Slater, Christoph G Salzmann
1Davy Faraday Research Laboratory, The Royal Institution of Great Britain, 21 Albemarle Street, London W1S 4BS, U.K.
Journal of the American Chemical Society
|September 28, 2006
Summary
Several hydrogen ordered ice phases of ice XII have distinct hydrogen networks. These unique ice XII structures form under specific kinetically controlled conditions, revealing new insights into water ice polymorphism.
Area of Science:
- Solid-state chemistry
- Materials science
- Crystallography
Background:
- Ice XII is a high-pressure polymorph of water ice.
- Understanding hydrogen ordering in ice phases is crucial for explaining their properties.
- Previous studies have identified various ice XII structures, but their hydrogen networks require further clarification.
Purpose of the Study:
- To investigate the hydrogen ordered structures of ice XII.
- To characterize the topological differences in hydrogen networks among various ice XII phases.
- To explore the role of kinetically controlled conditions in the formation of these distinct ice XII phases.
Main Methods:
- Computational modeling of water ice structures.
- Analysis of hydrogen bond networks using topological descriptors.
- Simulations of ice formation under varying kinetic parameters.
Main Results:
- Identified multiple hydrogen ordered ice XII phases.
- Demonstrated that these phases possess topologically distinct hydrogen networks.
- Confirmed that kinetically controlled conditions are essential for the formation of these specific ice XII structures.
Conclusions:
- The existence of several hydrogen ordered ice XII phases with unique hydrogen networks is supported by evidence.
- Kinetically controlled formation pathways lead to topologically distinct hydrogen arrangements in ice XII.
- This work advances the understanding of water ice polymorphism and the factors governing hydrogen ordering.
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