水中氢离子（H(aq)+）的结构。
The structure of the hydrogen ion (H(aq)+) in water.
机构信息
Department of Chemistry, University of California, Riverside, California 92521-0403, USA.
出版信息
J Am Chem Soc. 2010 Feb 10;132(5):1484-5. doi: 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.
摘要
水中的氢离子，H(aq)(+)，是一个独特的 H(13)O(6)(+)实体，它定义了正电荷离域的边界。它的中心单元既不是 C(3v) H(3)O(+) Eigen 型离子，也不是典型的 H(5)O(2)(+) Zundel 型离子。红外光谱表明，H(13)O(6)(+)离子具有出人意料的长中心 O...O 间隔（>>2.43 A），这表明与气相和固相相比，液态水的环境在离域正电荷方面具有独特的优势。这些结果将改变化学教科书中对 H(aq)(+)的描述，并且可能需要将正电荷的更广泛离域纳入对水相质子传输机制的描述中。
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