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Adsorption Conformation and Lateral Registry of Cobalt Porphine on Cu(111)


Rubio,  A.
Nano-Bio Spectroscopy Group and ETSF, Universidad del País Vasco;
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science & Department of Physics, University of Hamburg;

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Schwarz, M., Garnica, M., Duncan, D. A., Paz, A. P., Ducke, J., Deimel, P. S., et al. (2018). Adsorption Conformation and Lateral Registry of Cobalt Porphine on Cu(111). The Journal of Physical Chemistry C, 122(10), 5452-5461. doi:10.1021/acs.jpcc.7b11705.

The tetrapyrrole macrocycle of porphine is the common core of all porphyrin molecules, an interesting class of π-conjugated molecules with relevance in natural and artificial systems. The functionality of porphines on a solid surface can be tailored by the central metal atom and its interaction with the substrate. In this study, we present a local adsorption geometry determination for cobalt porphine on Cu(111) by means of complementary scanning tunneling microscopy, high-resolution X-ray photoelectron spectroscopy, X-ray standing wave measurements, and density functional theory calculations. Specifically, the Co center was determined to be at an adsorption height of 2.25 ± 0.04 Å occupying a bridge site. The macrocycle adopts a moderate asymmetric saddle-shape conformation, with the two pyrrole groups that are aligned perpendicular to the densely packed direction of the Cu(111) surface tilted away from the surface plane.