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Reorientation and allied dynamics in water and aqueous solutions

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10.1146/annurev.physchem.012809.103503
 
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hdl:2117/14782

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Laage, Damien
Stirnemann, Guillaume
Sterpone, Fabio
Rey Oriol, RosendoMés informacióMés informacióMés informació
Hynes, James T.
Document typeArticle
Defense date2011
Rights accessRestricted access - publisher's policy
Attribution-NonCommercial-NoDerivs 3.0 Spain
Except where otherwise noted, content on this work is licensed under a Creative Commons license : Attribution-NonCommercial-NoDerivs 3.0 Spain
Abstract
The reorientation of a water molecule is important for a host of phenomena, ranging over—in an only partial listing—the key dynamic hydrogen-bond network restructuring of water itself, aqueous solution chemical reaction mechanisms and rates, ion transport in aqueous solution and membranes, protein folding, and enzymatic activity. This review focuses on water reorientation and related dynamics in pure water, and for aqueous solutes with hydrophobic, hydrophilic, and amphiphilic character, ranging from tetramethylurea to halide ions and amino acids. Attention is given to the application of theory, simulation, and experiment in the probing of these dynamics, in usefully describing them, and in assessing the description. Special emphasis is placed on a novel sudden, large-amplitude jump mechanism for water reorientation,which contrastswith the commonly assumedDebye rotational diffusion mechanism, characterized by small-amplitude angular motion. Some open questions and directions for further research are also discussed.
CitationLaage, D. [et al.]. Reorientation and allied dynamics in water and aqueous solutions. "Annual review of physical chemistry", 2011, vol. 62, p. 395-416. 
URIhttp://hdl.handle.net/2117/14782
DOI10.1146/annurev.physchem.012809.103503
ISSN0066-426X
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  • Departament de Física i Enginyeria Nuclear (fins octubre 2015) - Articles de revista [603]
  • SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity - Articles de revista [383]
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