Issue 9, 2009
From the journal:

Physical Chemistry Chemical Physics

Hydroxide trapped in the interior of ice: a computational study†

Lukasz Cwiklik*a  and  Victoria Bucha  

* Corresponding authors

a Fritz Haber Research Center for Molecular Dynamics, Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, Israel
E-mail: lukasz@fh.huji.ac.il
Fax: +972 2651 3742
Tel: +972 2658 5937

Abstract

A new configuration is proposed for trapping of the hydroxide impurity in ice and in this “off-the-lattice” configuration, OH− accepts four hydrogen bonds, and, since its H atom is pointing towards a cavity in the structure, it does not donate any hydrogen bond and this configuration is proposed to account for relatively low proton activity in hydroxide-rich ice systems, as observed in isotopic exchange experiments.

Graphical abstract: Hydroxide trapped in the interior of ice: a computational study

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Article information

DOI
https://doi.org/10.1039/B820031A
Article type
Communication
Submitted
10 Nov 2008
Accepted
19 Dec 2008
First published
15 Jan 2009

Phys. Chem. Chem. Phys., 2009,11, 1294-1296

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Hydroxide trapped in the interior of ice: a computational study

L. Cwiklik and V. Buch, Phys. Chem. Chem. Phys., 2009, 11, 1294 DOI: 10.1039/B820031A

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