Hydration of Mineral Surfaces Probed at the Molecular Level
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.
FLOERSHEIMER M.;
KRUSE K.;
POLLY R.;
ABDELMONEM A.;
SCHIMMELPFENNIG B.;
KLENZE R.;
FANGHAENEL Thomas;
2008-12-04
AMER CHEMICAL SOC
JRC49132
0743-7463,
https://publications.jrc.ec.europa.eu/repository/handle/JRC49132,
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