INSTITUTO DE QUIMICA, FISICA DE LOS MATERIALES, MEDIOAMBIENTE Y ENERGIA
Unidad Ejecutora - UE
Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge
E. DE LA LLAVE; S. E. HERRERA; C. ADAM; L. P. MENDEZ DE LEO; E. J. CALVO; F. J. WILLIAMS
JOURNAL OF CHEMICAL PHYSICS
AMER INST PHYSICS
Lugar: New York; Año: 2015 vol. 143 p. 184703 - 184703
The molecular and electronic structure of Os(II) complexes covalently bonded to self-assembled monolayers (SAMs) on Au(111) surfaces was studied by means of polarization modulation infrared reflection absorption spectroscopy, photoelectron spectroscopies, scanning tunneling microscopy, scanning tunneling spectroscopy, and density functional theory calculations. Attachment of the Oscomplex to the SAM proceeds via an amide covalent bond with the SAM alkyl chain 40◦ tilted with respect to the surface normal and a total thickness of 26 Å. The highest occupied molecular orbital of the Os complex is mainly based on the Os(II) center located 2.2 eV below the Fermi edge and the LUMO molecular orbital is mainly based on the bipyridine ligands located 1.5 eV above the Fermi edge.