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Abstract:

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 Os complex 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. © 2015 AIP Publishing LLC.

Registro:

Documento: Artículo
Título:Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge
Autor:De La Llave, E.; Herrera, S.E.; Adam, C.; Méndez De Leo, L.P.; Calvo, E.J.; Williams, F.J.
Filiación:INQUIMAE-CONICET, Departamento de Química Inorgánica, Analítica y Química-Física, Universidad de Buenos Aires, Buenos Aires, C1428EHA, Argentina
Palabras clave:Absorption spectroscopy; Density functional theory; Electronic structure; Molecular orbitals; Photoelectron spectroscopy; Scanning tunneling microscopy; Self assembled monolayers; Au(111) surfaces; Bipyridine ligands; Covalently bonded; Highest occupied molecular orbital; Molecular bridges; Osmium complexes; Polarization modulation infrared reflection absorption spectroscopy; Scanning tunneling spectroscopy; Osmium compounds
Año:2015
Volumen:143
Número:18
DOI: http://dx.doi.org/10.1063/1.4935364
Título revista:Journal of Chemical Physics
Título revista abreviado:J Chem Phys
ISSN:00219606
CODEN:JCPSA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v143_n18_p_DeLaLlave

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Citas:

---------- APA ----------
De La Llave, E., Herrera, S.E., Adam, C., Méndez De Leo, L.P., Calvo, E.J. & Williams, F.J. (2015) . Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge. Journal of Chemical Physics, 143(18).
http://dx.doi.org/10.1063/1.4935364
---------- CHICAGO ----------
De La Llave, E., Herrera, S.E., Adam, C., Méndez De Leo, L.P., Calvo, E.J., Williams, F.J. "Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge" . Journal of Chemical Physics 143, no. 18 (2015).
http://dx.doi.org/10.1063/1.4935364
---------- MLA ----------
De La Llave, E., Herrera, S.E., Adam, C., Méndez De Leo, L.P., Calvo, E.J., Williams, F.J. "Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge" . Journal of Chemical Physics, vol. 143, no. 18, 2015.
http://dx.doi.org/10.1063/1.4935364
---------- VANCOUVER ----------
De La Llave, E., Herrera, S.E., Adam, C., Méndez De Leo, L.P., Calvo, E.J., Williams, F.J. Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge. J Chem Phys. 2015;143(18).
http://dx.doi.org/10.1063/1.4935364