Issue 31, 2010

STM fingerprint of molecule–adatom interactions in a self-assembled metal–organic surface coordination network on Cu(111)

Abstract

A novel approach of identifying metal atoms within a metal–organic surface coordination network using scanning tunnelling microscopy (STM) is presented. The Cu adatoms coordinated in the porous surface network of 1,3,8,10-tetraazaperopyrene (TAPP) molecules on a Cu(111) surface give rise to a characteristic electronic resonance in STM experiments. Using density functional theory calculations, we provide strong evidence that this resonance is a fingerprint of the interaction between the molecules and the Cu adatoms. We also show that the bonding of the Cu adatoms to the organic exodentate ligands is characterised by both the mixing of the nitrogen lone-pair orbitals of TAPP with states on the Cu adatoms and the partial filling of the lowest unoccupied molecular orbital (LUMO) of the TAPP molecule. Furthermore, the key interactions determining the surface unit cell of the network are discussed.

Graphical abstract: STM fingerprint of molecule–adatom interactions in a self-assembled metal–organic surface coordination network on Cu(111)

Article information

Article type
Paper
Submitted
26 Feb 2010
Accepted
30 Apr 2010
First published
08 Jun 2010

Phys. Chem. Chem. Phys., 2010,12, 8815-8821

STM fingerprint of molecule–adatom interactions in a self-assembled metal–organic surface coordination network on Cu(111)

J. Björk, M. Matena, M. S. Dyer, M. Enache, J. Lobo-Checa, L. H. Gade, T. A. Jung, M. Stöhr and M. Persson, Phys. Chem. Chem. Phys., 2010, 12, 8815 DOI: 10.1039/C003660A

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