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

DOI: 10.1021/acs.jpcc.7b11705 DOI Help

Authors: Martin Schwarz (Technical University of Munich) , Manuela Garnica (Technical University Munich) , David A. Duncan (Diamond Light Source) , Alejandro Pérez Paz (Universidad del País Vasco; Yachay Tech University) , Jacob Ducke (Technical University Munich) , Peter S. Deimel (Technical University of Munich) , Pardeep K. Thakur (Diamond Light Source) , Tien-lin Lee (Diamond Light Source) , Angel Rubio (Universidad del País Vasco; Max Planck Institute for the Structure and Dynamics of Matter; University of Hamburg) , Johannes V. Barth (Technical University of Munich) , Francesco Allegretti (Technical University of Munich) , Willi Auwärter (Technical University of Munich)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: The Journal Of Physical Chemistry C

State: Published (Approved)
Published: February 2018
Diamond Proposal Number(s): 14624

Abstract: 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 and 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.

Subject Areas: Chemistry, Materials


Instruments: I09-Surface and Interface Structural Analysis