Adsorption of Acetone onto MgO: Experimental and Theoretical Evidence for the Presence of a Surface Enolate

Javier F Sanz; Jaime Oviedo; Antonio Márquez; José Antonio Odriozola; Mario Montes

doi:10.1002/(SICI)1521-3773(19990215)38:4<506::AID-ANIE506>3.0.CO;2-F

Adsorption of Acetone onto MgO: Experimental and Theoretical Evidence for the Presence of a Surface Enolate

Angew Chem Int Ed Engl. 1999 Feb 15;38(4):506-509. doi: 10.1002/(SICI)1521-3773(19990215)38:4<506::AID-ANIE506>3.0.CO;2-F.

Authors

Javier F Sanz¹, Jaime Oviedo¹, Antonio Márquez¹, José Antonio Odriozola², Mario Montes³

Affiliations

¹ Departamento de Química Física, Facultad de Química, Universidad de Sevilla, E-41012, Sevilla (Spain), Fax: (+349) 954-557-174.
² Departamento de Química Inorgánica e Instituto de Ciencias de los Materiales de Sevilla, Universidad de Sevilla-CSIC (Spain).
³ Departamento de Química Aplicada, Facultad de Química, Universidad del País Vasco, San Sebastián (Spain).

PMID: 29711772
DOI: 10.1002/(SICI)1521-3773(19990215)38:4<506::AID-ANIE506>3.0.CO;2-F

Abstract

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.