A new band at 1640 cm-1 is revealed by diffuse reflectance FT-IR spectroscopy of acetone adsorbed on a MgO surface (shown schematically). On the grounds of ab initio quantum-mechanical calculations, this band is assigned to an adsorbed enolate species. This evidence proves the catalytic role of the metal oxide surface in the condensation reaction mechanism.
Keywords: Ab initio calculations; Enols; Heterogeneous catalysis; IR spectroscopy; Surface chemistry.
© 1999 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.