The Structure of the Hydrogen Ion (Haq +) in Water

The hydrogen ion in water, Haq +, is a unique H13O6 + entity that defines the boundary of positive-charge delocalization. Its central unit is neither a C 3v H3O+ Eigen-type ion nor a typical H5O2 + Zundel-type ion. IR spectroscopy indicates that the H13O6 + ion has an unexpectedly long central O···O...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2010-02, Vol.132 (5), p.1484-1485
Main Authors: Stoyanov, Evgenii S, Stoyanova, Irina V, Reed, Christopher A
Format: Article
Language:English
Subjects:
Molecular Structure
Protons
Spectrophotometry, Infrared
Water - chemistry
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Summary:The hydrogen ion in water, Haq +, is a unique H13O6 + entity that defines the boundary of positive-charge delocalization. Its central unit is neither a C 3v H3O+ Eigen-type ion nor a typical H5O2 + Zundel-type ion. IR spectroscopy indicates that the H13O6 + ion has an unexpectedly long central O···O separation (≫2.43 Å), showing that in comparison with the gas and solid phases, the environment of liquid water is uniquely proficient in delocalizing positive charge. These results will change the description of Haq + in textbooks of chemistry, and a more extensive delocalization of positive charge may need to be incorporated into descriptions of mechanisms of aqueous proton transport.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja9101826