Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge

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 tunn...

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Autores principales: De La Llave, E., Herrera, S.E., Adam, C., Méndez De Leo, L.P., Calvo, E.J., Williams, F.J.
Formato: JOUR
Materias:
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
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v143_n18_p_DeLaLlave
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_00219606_v143_n18_p_DeLaLlave2023-10-03T14:24:35Z Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge De La Llave, E. Herrera, S.E. Adam, C. Méndez De Leo, L.P. Calvo, E.J. Williams, F.J. 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 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00219606_v143_n18_p_DeLaLlave
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic 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
spellingShingle 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
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
topic_facet 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
description 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.
format JOUR
author De La Llave, E.
Herrera, S.E.
Adam, C.
Méndez De Leo, L.P.
Calvo, E.J.
Williams, F.J.
author_facet De La Llave, E.
Herrera, S.E.
Adam, C.
Méndez De Leo, L.P.
Calvo, E.J.
Williams, F.J.
author_sort De La Llave, E.
title Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge
title_short Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge
title_full Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge
title_fullStr Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge
title_full_unstemmed Molecular and electronic structure of osmium complexes confined to Au(111) surfaces using a self-assembled molecular bridge
title_sort molecular and electronic structure of osmium complexes confined to au(111) surfaces using a self-assembled molecular bridge
url http://hdl.handle.net/20.500.12110/paper_00219606_v143_n18_p_DeLaLlave
work_keys_str_mv AT delallavee molecularandelectronicstructureofosmiumcomplexesconfinedtoau111surfacesusingaselfassembledmolecularbridge
AT herrerase molecularandelectronicstructureofosmiumcomplexesconfinedtoau111surfacesusingaselfassembledmolecularbridge
AT adamc molecularandelectronicstructureofosmiumcomplexesconfinedtoau111surfacesusingaselfassembledmolecularbridge
AT mendezdeleolp molecularandelectronicstructureofosmiumcomplexesconfinedtoau111surfacesusingaselfassembledmolecularbridge
AT calvoej molecularandelectronicstructureofosmiumcomplexesconfinedtoau111surfacesusingaselfassembledmolecularbridge
AT williamsfj molecularandelectronicstructureofosmiumcomplexesconfinedtoau111surfacesusingaselfassembledmolecularbridge
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