Molecular Orbital Shift of Perylenetetracarboxylic-Dianhydride
Kroeger, J. · Jensen, H. · Berndt, R. · Rurali, R. · Lorente, N.
Original · EN
Using low-temperature scanning tunneling microscopy we find that perylenetetracarboxylic-dianhydride on Au(788) exhibits three coexisting adsorption phases. Single-molecule tunneling spectroscopy reveals orbital energies, which differ in the different adsorption phases. Density functional theory calculations associate the experimentally observed submolecular corrugation to the spatial distribution of the second-to-lowest unoccupied molecular orbital. We tentatively attribute the orbital shifts to a varying number of hydrogen bonds.
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