Formation of Hybrid Electronic States in FePc Chains Mediated by the Au(110) Surface
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.
2012
2016-10-10 14:09:48
1033
phthalocyanine, Au(110), gold, surface, DFT, density functional theory, calculation, simulation
r6
Maria Grazia
Betti
70
Pierluigi
Gargiani
70
Carlo
Mariani
70
Stefano
Turchini
70
Nicola
Zema
70
Sara
Fortuna
70
Arrigo
Calzolari
70
Stefano
Fabris
70
COBISS_ID
3
4542203
DOI
15
10.1021/jp300663t
NUK URN
18
URN:SI:UNG:REP:MHFUJUH5
07a_Betti_FePc_spectroscopy.pdf
3405376
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2016-10-10 14:09:48