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Communication
Phys. Chem. Chem. Phys., 2009, 11, 1294 - 1296, DOI: 10.1039/b820031a
Hydroxide trapped in the interior of ice: a computational study
Lukasz Cwiklik and Victoria Buch
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.
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