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Hydroxide trapped in the interior of ice: A computational study

Physical Chemistry Chemical Physics, ISSN: 1463-9076, Vol: 11, Issue: 9, Page: 1294-1296
2009
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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. © the Owner Societies.

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