Regensburg 2019 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 84: Focus Session: Spins on Surfaces II (joint session O/MA)
O 84.3: Vortrag
Donnerstag, 4. April 2019, 15:45–16:00, H15
Unraveling the Oxidation and Spin State of Mn-Corrole — •Reza Kakavandi1, Mateusz Paszkiewicz1, Hazem Aldahhak2, Uwe Gerstmann2, Wolfgang Schofberger3, Wolf Gero Schmidt2, Johannes V. Barth1, and Florian Klappenberger1 — 1Physics Department E20, Technical University of Munich, Germany — 2Department of Physics, Paderborn University, Germany — 3Institute of Organic Chemistry, Johannes Kepler University, Austria
The ability of engineering oxidation states and spin configurations in metal-corroles have fueled the vision of metal complexes-based platform for faster catalysis and more efficient fuel cells. One of the challenges in the functionality of corroles is to devise ways to unveil and ultimately control the electronic structure of the metal centers. However, despite the importance in implementation this class of molecules in novel devices, their electronic structure is hardly accessible with traditional techniques and thus is still under debate, especially at the interfaces. Here, via X-ray spectroscopic investigations and density functional theory calculations we explore the electronic ground state of the prototypical Mn-5,10,15-tris(pentafluorophenyl) corrole complex within a highly pure multilayer. The theory-based interpretation of Mn photoemission and absorption fine-structure spectra (3s and 2p and L2,3-edge, respectively) evidence a Mn(III) oxidation state with an S = 2 high-spin configuration. Furthermore, we shine light on the influence of being in contact to a Ag(111) surface and discuss mechanism such as charge transfer and annealing induced chemical conversions and their impact on the spin properties.