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Comparison of the Carbonyl and Nitrosyl Complexes Formed by Adsorption of CO and NO on Mono layers of Iron Phthalocyanine on Au(111)

In English

Författare

Summary, in English

The interaction between monolayers of iron phthalocyanine on a Au(111) support and carbon monoxide and nitric oxide is studied by X-ray photoelectron spectroscopy and density functional theory calculations. We find several carbon monoxide and nitric oxide adsorbate species, and in particular species that bind to the iron ions of the phthalocyanine compound. The formation of phthalocyanine carbonyl and nitrosyl complexes leads to a redistribution of the electrons in the iron 3d levels resulting in a change of the spin state. Further, the adsorption results in an electronic decoupling of the iron phthalocyanine adsorbates from the substrate. The extent of the spin change and adsorbate substrate decoupling depends on which ligand is used. The X-ray photoelectron spectroscopy results suggest that a covalent bond is formed between the NO and CO adsorbates and the FePc iron ion, and that the NO and CO valence states hybridize with metal ion d states. The density functional theory calculations show that CO adsorbs in a linear configuration, while NO adsorption assumes a tilted geometry.

Publiceringsår

2011

Språk

Engelska

Sidor

24718-24727

Publikation/Tidskrift/Serie

Journal of Physical Chemistry C

Volym

115

Issue

50

Dokumenttyp

Artikel i tidskrift

Förlag

The American Chemical Society (ACS)

Ämne

  • Natural Sciences
  • Atom and Molecular Physics and Optics
  • Physical Sciences

Status

Published

ISBN/ISSN/Övrigt

  • ISSN: 1932-7447