Maria Grazia Betti (Author), Pierluigi Gargiani (Author), Carlo Mariani (Author), Stefano Turchini (Author), Nicola Zema (Author), Sara Fortuna (Author), Arrigo Calzolari (Author), Stefano Fabris (Author)

Abstract

Iron–phthalocyanine (FePc) molecules deposited on the Au(110) surface self-organize in ordered chains driven by the reconstructed Au channels. The interaction process induces a rehybridization of the electronic states localized on the central metal atom, breaking the 4-fold symmetry of the molecular orbitals of the FePc molecules. The molecular adsorption is controlled by a symmetry-determined mixing between the electronic states of the Fe metal center and of the Au substrate, as deduced by photoemission and absorption spectroscopy exploiting light polarization. DFT calculations rationalize this mixing of the Fe and Au states on the basis of symmetry arguments. The calculated electronic structure reproduces the main experimental spectral features, which are associated to a distorted molecular structure displaying a trigonal bipyramidal geometry of the ligands around the metal center.

Keywords

phthalocyanine;Au(110);gold;surface;density functional theory;calculation;simulation;

Data

Language: English
Year of publishing:
Typology: 1.01 - Original Scientific Article
Organization: UNG - University of Nova Gorica
UDC: 54
COBISS: 4542203 Link will open in a new window
ISSN: 1932-7447
Views: 4133
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Other data

URN: URN:SI:UNG
Type (COBISS): Not categorized
Pages: str. 8657-8663
Volume: ǂVol. ǂ116
Issue: ǂno. ǂ15
Chronology: 2012
DOI: 10.1021/jp300663t
ID: 9175961