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Molecular Orbital Shift of Perylenetetracarboxylic-Dianhydride

J. Kroeger·H. Jensen·R. Berndt·R. Rurali·N. Lorente
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Abstract

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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J. Kroeger, H. Jensen, R. Berndt, R. Rurali, N. Lorente. 2005-06-01. Molecular Orbital Shift of Perylenetetracarboxylic-Dianhydride. https://arxiv.org/abs/cond-mat/0506025

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