Title: Hydration of Mineral Surfaces Probed at the Molecular Level
Authors: FLOERSHEIMER M.KRUSE K.POLLY R.ABDELMONEM A.SCHIMMELPFENNIG B.KLENZE R.FANGHAENEL Thomas
Citation: LANGMUIR vol. 24 p. 13434-13439
Publisher: AMER CHEMICAL SOC
Publication Year: 2008
JRC Publication N°: JRC49132
ISSN: 0743-7463
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC49132
Type: Articles in Journals
Abstract: By employing the nonlinear optical, interface selective experiment of sum frequency spectroscopy together with independent ab initio and density functional theory calculations, we determine the functional species of a corundum (001) surface: doubly coordinated OH groups which differ in their bond tilt angles. The interaction of the functional species with the adjacent water molecules is also observed. In a large pH range around the point of zero charge, the interaction is not controlled electrostatically but by hydrogen bonding. The functional species¿ tilt angles are crucial parameters, determining whether the species act as hydrogen bond donors or acceptors.
JRC Institute:Institute for Transuranium Elements

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