Skip to main content
eScholarship
Open Access Publications from the University of California

UC Riverside

UC Riverside Previously Published Works bannerUC Riverside

The structure of the hydrogen ion (H(aq)+) in water.

  • Author(s): Stoyanov, Evgenii S;
  • Stoyanova, Irina V;
  • Reed, Christopher A
  • et al.

Published Web Location

https://doi.org/10.1021/ja9101826
Abstract

The hydrogen ion in water, H(aq)(+), is a unique H(13)O(6)(+) entity that defines the boundary of positive-charge delocalization. Its central unit is neither a C(3v) H(3)O(+) Eigen-type ion nor a typical H(5)O(2)(+) Zundel-type ion. IR spectroscopy indicates that the H(13)O(6)(+) ion has an unexpectedly long central O...O separation (>>2.43 A), 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 H(aq)(+) 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.

Many UC-authored scholarly publications are freely available on this site because of the UC's open access policies. Let us know how this access is important for you.

Main Content
For improved accessibility of PDF content, download the file to your device.
Current View