VIBRATIONAL SPECTROSCOPY OF BINARY METAL OXIDE CLUSTERS
Date
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
Cerium oxide is one of the most reactive rare earth metal oxides and is commonly used as a support material for metals and metal oxides in heterogeneous catalysis. In many cases it is not chemically inert, but directly participates in the catalytic process. The well-known difficulty of quantum chemical approaches for f-element containing molecules remains unresolved. In order to investigate the electronic and geometric structure and deliver benchmark vibrational frequencies for testing the accuracy of density functional theory calculations, infrared photodissociation spectra of rare gas tagged binary (CeO
Description
Author Institution: Fritz-Haber-Institut der Max-Planck-Gesellschaft; Faradayweg 4-6, 14195 Berlin, Germany; Laboratorium voor Vaste-Stoffysica en Magnetisme; Katholieke Universiteit Leuven, Celestijnenlaan 200D, B-3001 Leuven; Belgium