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O: Fachverband Oberflächenphysik
O 15: Organic Molecules on Inorganic Substrates II: Mainly Porphyrins
O 15.11: Vortrag
Montag, 16. März 2020, 17:45–18:00, REC C 213
Direct observation of long-range surface-mediated molecule-molecule hybridization — Marina Castelli1, •Jack Hellerstedt1, Cornelius Krull1, Spiro Gicev2, Lloyd CL Hollenberg2, Muhammad Usman2, and Agustin Schiffrin1 — 1School of Physics and Astronomy, Monash University, Clayton VIC 3800 Australia — 2Centre for Quantum Computation and Communication Technology, Faculty of Science, University of Melbourne, VIC 3010, Australia
Metalated phthalocyanines are robust and versatile molecular complexes, whose properties can be tuned by changing its functional groups and central metal atom. Magnesium phthalocyanine (MgPc) is structurally close to the chlorophyll molecule responsible for photosynthesis in bio-organisms. Here we studied the electronic structure of MgPc on Ag(100) via low-temperature scanning probe microscopy (STM/STS/ncAFM) and density functional theory (DFT). Our ncAFM and STS data show that a single isolated MgPc molecule exhibits a flat four-fold symmetric morphology with doubly degenerate, partially populated lowest unoccupied molecular orbitals (LUMOs). Adjacent MgPc's (3 nm or less) show a lift of LUMO degeneracy and symmetry reduction. We explain this interaction by a two-step hybridization process: MgPc orbitals hybridize with Ag(100), forming molecule-surface orbitals with enhanced spatial extension that hybridize in turn with neighboring molecules. Distance-dependent analysis of the resulting symmetry reduction allows us to quantitatively describe the nature of this long-range surface-mediated interaction.