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

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.

• Author: Cristina Isvoranu; Bin Wang; Evren Ataman; Jan Knudsen; Karina Schulte; Jesper N Andersen; Marie-Laure Bocquet; Joachim Schnadt
• Department/s: Synchrotron Radiation Research; MAX IV Laboratory; NanoLund: Centre for Nanoscience
• Publishing year: 2011
• Language: English
• Pages: 24718-24727
• Publication/Series: Journal of Physical Chemistry C
• Volume: 115
• Issue: 50
• Links: http://dx.doi.org/10.1021/jp204461k
• Document type: Journal article
• Publisher: The American Chemical Society (ACS)
• Topic: Natural Sciences; Atom and Molecular Physics and Optics; Physical Sciences
• Status: Published
• ISBN/ISSN/Other: ISSN: 1932-7447