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

Andersson, M P; Blomquist, Jakob LU and Uvdal, Per LU (2005) In Journal of Chemical Physics 123(22). p.1-224714
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.
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
123
issue
22
pages
1 - 224714
publisher
American Institute of Physics
external identifiers
  • wos:000234120800045
  • scopus:29144447674
ISSN
0021-9606
DOI
10.1063/1.2125587
language
English
LU publication?
yes
id
9739ce27-b2df-49df-ac43-076dce7e2c32 (old id 157790)
date added to LUP
2007-07-03 10:21:52
date last changed
2017-08-27 04:06:25
@article{9739ce27-b2df-49df-ac43-076dce7e2c32,
  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.},
  author       = {Andersson, M P and Blomquist, Jakob and Uvdal, Per},
  issn         = {0021-9606},
  language     = {eng},
  number       = {22},
  pages        = {1--224714},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Surface-induced C–O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations},
  url          = {http://dx.doi.org/10.1063/1.2125587},
  volume       = {123},
  year         = {2005},
}