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Ammonia adsorption on iron phthalocyanine on Au(111): Influence on adsorbate-substrate coupling and molecular spin.

Isvoranu, Cristina LU ; Wang, Bin; Ataman, Evren LU ; Schulte, Karina LU ; Knudsen, Jan LU ; Andersen, Jesper N LU ; Bocquet, Marie-Laure and Schnadt, Joachim LU (2011) In Journal of Chemical Physics 134(11).
Abstract
The adsorption of ammonia on Au(111)-supported monolayers of iron phthalocyanine has been investigated by x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and density functional theory calculations. The ammonia-induced changes of the x-ray photoemission lines show that a dative bond is formed between ammonia and the iron center of the phthalocyanine molecules, and that the local spin on the iron atom is quenched. This is confirmed by density functional theory, which also shows that the bond between the iron center of the metalorganic complex and the Au(111) substrate is weakened upon adsorption of ammonia. The experimental results further show that additional adsorption sites exist for ammonia on the iron phthalocyanine... (More)
The adsorption of ammonia on Au(111)-supported monolayers of iron phthalocyanine has been investigated by x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and density functional theory calculations. The ammonia-induced changes of the x-ray photoemission lines show that a dative bond is formed between ammonia and the iron center of the phthalocyanine molecules, and that the local spin on the iron atom is quenched. This is confirmed by density functional theory, which also shows that the bond between the iron center of the metalorganic complex and the Au(111) substrate is weakened upon adsorption of ammonia. The experimental results further show that additional adsorption sites exist for ammonia on the iron phthalocyanine monolayer. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
134
issue
11
publisher
American Institute of Physics
external identifiers
  • wos:000288597700059
  • pmid:21428659
  • scopus:79953221488
ISSN
0021-9606
DOI
10.1063/1.3563635
language
English
LU publication?
yes
id
962ed6ae-416d-4197-831b-1ac2f2cd96ca (old id 1883581)
date added to LUP
2011-04-05 13:45:23
date last changed
2017-07-09 03:12:16
@article{962ed6ae-416d-4197-831b-1ac2f2cd96ca,
  abstract     = {The adsorption of ammonia on Au(111)-supported monolayers of iron phthalocyanine has been investigated by x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and density functional theory calculations. The ammonia-induced changes of the x-ray photoemission lines show that a dative bond is formed between ammonia and the iron center of the phthalocyanine molecules, and that the local spin on the iron atom is quenched. This is confirmed by density functional theory, which also shows that the bond between the iron center of the metalorganic complex and the Au(111) substrate is weakened upon adsorption of ammonia. The experimental results further show that additional adsorption sites exist for ammonia on the iron phthalocyanine monolayer.},
  articleno    = {114710},
  author       = {Isvoranu, Cristina and Wang, Bin and Ataman, Evren and Schulte, Karina and Knudsen, Jan and Andersen, Jesper N and Bocquet, Marie-Laure and Schnadt, Joachim},
  issn         = {0021-9606},
  language     = {eng},
  number       = {11},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Ammonia adsorption on iron phthalocyanine on Au(111): Influence on adsorbate-substrate coupling and molecular spin.},
  url          = {http://dx.doi.org/10.1063/1.3563635},
  volume       = {134},
  year         = {2011},
}