Surface-induced C–O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations

M P Andersson; Jakob Blomquist; Per Uvdal

doi:10.1063/1.2125587

Surface-induced C–O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations

M P Andersson, Jakob Blomquist, Per Uvdal

Chemical Physics

Research output: Contribution to journal › Article › peer-review

Abstract

The anharmonic properties of a surface intermediate, methoxy, adsorbed on Cu(100) are investigated by surface infrared overtone spectroscopy and density-functional-theory electronic structure calculations. The anharmonicity is measured in the zero-coverage limit, and it is observed that the anharmonicity is increased upon adsorption as compared with the free methanol. By combining experiments with calculations we demonstrate that modifications of the anharmonicity of the methoxy species is indeed induced by adsorption onto the copper surface and not by the formation of the methoxy species.

Original language	English
Pages (from-to)	224714-1-224714-5
Journal	Journal of Chemical Physics
Volume	123
Issue number	22
DOIs	https://doi.org/10.1063/1.2125587
Publication status	Published - 2005

Bibliographical note

The information about affiliations in this record was updated in December 2015.
The record was previously connected to the following departments: Chemical Physics (S) (011001060)

Subject classification (UKÄ)

Atom and Molecular Physics and Optics

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10.1063/1.2125587

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title = "Surface-induced C–O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations",

abstract = "The anharmonic properties of a surface intermediate, methoxy, adsorbed on Cu(100) are investigated by surface infrared overtone spectroscopy and density-functional-theory electronic structure calculations. The anharmonicity is measured in the zero-coverage limit, and it is observed that the anharmonicity is increased upon adsorption as compared with the free methanol. By combining experiments with calculations we demonstrate that modifications of the anharmonicity of the methoxy species is indeed induced by adsorption onto the copper surface and not by the formation of the methoxy species.",

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T1 - Surface-induced C–O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations

AU - Andersson, M P

AU - Blomquist, Jakob

AU - Uvdal, Per

N1 - The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)

PY - 2005

Y1 - 2005

N2 - The anharmonic properties of a surface intermediate, methoxy, adsorbed on Cu(100) are investigated by surface infrared overtone spectroscopy and density-functional-theory electronic structure calculations. The anharmonicity is measured in the zero-coverage limit, and it is observed that the anharmonicity is increased upon adsorption as compared with the free methanol. By combining experiments with calculations we demonstrate that modifications of the anharmonicity of the methoxy species is indeed induced by adsorption onto the copper surface and not by the formation of the methoxy species.

AB - The anharmonic properties of a surface intermediate, methoxy, adsorbed on Cu(100) are investigated by surface infrared overtone spectroscopy and density-functional-theory electronic structure calculations. The anharmonicity is measured in the zero-coverage limit, and it is observed that the anharmonicity is increased upon adsorption as compared with the free methanol. By combining experiments with calculations we demonstrate that modifications of the anharmonicity of the methoxy species is indeed induced by adsorption onto the copper surface and not by the formation of the methoxy species.

U2 - 10.1063/1.2125587

DO - 10.1063/1.2125587

M3 - Article

SN - 0021-9606

VL - 123

SP - 224714-1-224714-5

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 22

ER -

Surface-induced C–O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations

Abstract

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