Elucidation of oxyanion coordination geometries at solid surfaces of varied electric field strengths.
Density functional theory calculations of oxyanions exposed to external electric fields revealed systematic variations in molecular geometries and vibration stretching frequencies. These variations can be used in laboratory studies to determine coordination geometries of oxyanions adsorbed on solid surfaces using infrared spectroscopy.
Boily
Jean-François
JF
Department of Chemistry, Umeå University, SE-901 87, Umeå, Sweden. jean-francois.boily@chem.umu.se